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2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol ID: AN-19136
CAS:5650-20-4
Supplier:AN PharmaTech Co Ltd

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SMILES:O(CCOCCOCC)CCOCCO	79734
FORMULA: C10H22O5
MASS: 222.2787
EXACT MASS: 222.1467238
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.6458     0.0000 
   O   3    2.6458     5.1962     0.0000 
   O   4    5.1961     2.6457     7.8102     0.0000 
   O   5    5.1962     7.8103     2.6458    10.3923     0.0000 
   C   6    1.0000     1.7321     3.4641     4.3589     6.0828     0.0000 
   C   7    1.7320     1.0001     4.3589     3.4641     6.9282     1.0000 
   C   8    1.0000     3.4641     1.7321     6.0827     4.3590     1.7320 
   C   9    3.4641     1.0000     6.0828     1.7320     8.6603     2.6458 
   C  10    1.7321     4.3590     1.0000     6.9282     3.4641     2.6458 
   C  11    4.3589     1.7320     6.9282     1.0000     9.5394     3.4641 
   C  12    3.4641     6.0828     1.0000     8.6602     1.7321     4.3589 
   C  13    6.0828     3.4641     8.6603     1.0001    11.2695     5.1962 
   C  14    4.3589     6.9282     1.7320     9.5393     1.0001     5.1961 
   C  15    6.9282     4.3589     9.5394     1.7321    12.1244     6.0828 
   H  16    1.5967     1.4156     3.8917     4.0507     6.5338     0.6199 
   H  17    1.0812     2.1829     3.1022     4.8281     5.7470     0.6199 
   H  18    1.4155     1.5968     4.0507     3.8917     6.5469     1.0812 
   H  19    2.1829     1.0812     4.8282     3.1021     7.3422     1.5968 
   H  20    1.0812     3.1022     2.1829     5.7469     4.8282     1.4155 
   H  21    1.5968     3.8918     1.4155     6.5338     4.0507     2.1829 
   H  22    3.1022     1.0812     5.7470     2.1828     8.2754     2.4060 
   H  23    3.8917     1.5967     6.5338     1.4155     9.0712     3.1512 
   H  24    2.1829     4.8282     1.0812     7.3421     3.1022     3.1512 
   H  25    1.4155     4.0507     1.5968     6.5468     3.8918     2.4059 
   H  26    4.8281     2.1828     7.3421     1.0812     9.9726     3.8917 
   H  27    4.0507     1.4155     6.5469     1.5967     9.1797     3.1022 
   H  28    3.8917     6.5338     1.5967     9.0711     1.4156     4.8281 
   H  29    3.1022     5.7470     1.0812     8.2753     2.1829     4.0507 
   H  30    6.5338     3.8917     9.0712     1.5968    11.6976     5.6148 
   H  31    5.7469     3.1021     8.2753     1.0812    10.9035     4.8210 
   H  32    4.0507     6.5469     1.4155     9.1796     1.5968     4.8210 
   H  33    4.8282     7.3422     2.1829     9.9726     1.0812     5.6148 
   H  34    6.6399     4.1517     9.2744     1.5201    11.8266     5.8449 
   H  35    7.4715     4.9339    10.0957     2.2901    12.6651     6.6486 
   H  36    7.2581     4.6402     9.8364     2.1115    12.4460     6.3723 
   H  37    5.7415     8.3334     3.1408    10.9336     0.6200     6.6018 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    1.7321     4.3589     0.0000 
   C  10    3.4641     1.0001     5.1962     0.0000 
   C  11    2.6458     5.1961     1.0000     6.0828     0.0000 
   C  12    5.1961     2.6458     6.9282     1.7320     7.8102     0.0000 
   C  13    4.3590     6.9282     2.6458     7.8103     1.7321     9.5394 
   C  14    6.0827     3.4641     7.8102     2.6457     8.6602     1.0000 
   C  15    5.1962     7.8102     3.4641     8.6603     2.6458    10.3923 
   H  16    1.0812     2.1828     2.4060     3.1512     3.1022     4.8281 
   H  17    1.5967     1.4155     3.1512     2.4060     3.8917     4.0507 
   H  18    0.6199     2.4059     2.1829     3.1022     3.1512     4.8210 
   H  19    0.6200     3.1512     1.4155     3.8918     2.4059     5.6148 
   H  20    2.4059     0.6199     4.0507     1.5968     4.8210     3.1512 
   H  21    3.1512     0.6200     4.8282     1.0812     5.6148     2.4059 
   H  22    1.4156     4.0507     0.6199     4.8211     1.5967     6.5469 
   H  23    2.1829     4.8281     0.6199     5.6148     1.0812     7.3421 
   H  24    3.8917     1.5968     5.6148     0.6199     6.5338     1.4155 
   H  25    3.1021     1.0812     4.8210     0.6200     5.7469     2.1829 
   H  26    3.1512     5.6147     1.5967     6.5338     0.6199     8.2505 
   H  27    2.4060     4.8210     1.0812     5.7470     0.6199     7.4597 
   H  28    5.6147     3.1512     7.3421     2.1828     8.2505     0.6199 
   H  29    4.8210     2.4060     6.5469     1.4155     7.4597     0.6199 
   H  30    4.8282     7.3421     3.1512     8.2506     2.1829     9.9726 
   H  31    4.0507     6.5468     2.4059     7.4597     1.4155     9.1796 
   H  32    5.7469     3.1022     7.4597     2.4059     8.2753     1.0812 
   H  33    6.5338     3.8918     8.2506     3.1512     9.0712     1.5968 
   H  34    4.9156     7.5557     3.1995     8.3675     2.5121    10.0966 
   H  35    5.7415     8.3704     4.0130     9.2024     3.2380    10.9336 
   H  36    5.5323     8.1043     3.8121     8.9864     2.9083    10.7158 
   H  37    7.4715     4.8708     9.2024     4.0130    10.0650     2.2901 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14   10.3923     0.0000 
   C  15    1.0000    11.2694     0.0000 
   H  16    4.8211     5.6147     5.7470     0.0000 
   H  17    5.6148     4.8210     6.5338     0.7970     0.0000 
   H  18    4.8282     5.7469     5.6148     1.4514     1.6887     0.0000 
   H  19    4.0507     6.5338     4.8210     1.6888     2.2063     0.7971 
   H  20    6.5469     3.8917     7.4597     1.7320     0.9350     2.3120 
   H  21    7.3422     3.1021     8.2506     2.5291     1.7321     2.9752 
   H  22    3.1512     7.4597     3.8917     2.3121     2.9752     1.7321 
   H  23    2.4060     8.2505     3.1022     2.9752     3.6917     2.5291 
   H  24    8.2506     2.4059     9.0712     3.6917     2.9752     3.4641 
   H  25    7.4597     3.1512     8.2753     2.9752     2.3120     2.6670 
   H  26    1.4156     9.0711     2.4060     3.4641     4.2611     3.6917 
   H  27    2.1829     8.2753     3.1512     2.6671     3.4641     2.9752 
   H  28    9.9726     1.0812    10.8012     5.3281     4.5664     5.1961 
   H  29    9.1797     1.5967    10.0051     4.5664     3.8190     4.3991 
   H  30    0.6199    10.8012     1.0812     5.1962     5.9932     5.3282 
   H  31    0.6200    10.0050     1.5968     4.3991     5.1961     4.5664 
   H  32   10.0051     0.6199    10.9035     5.1961     4.3991     5.4611 
   H  33   10.8013     0.6200    11.6976     5.9932     5.1962     6.2332 
   H  34    1.1766    10.9973     0.6200     5.5631     6.3338     5.2851 
   H  35    1.6199    11.8230     0.6200     6.3323     7.1146     6.1338 
   H  36    1.1766    11.5684     0.6200     5.9897     6.7849     5.9908 
   H  37   11.7968     1.4158    12.6651     7.0291     6.2361     7.1101 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.9752     0.0000 
   H  21    3.6918     0.7971     0.0000 
   H  22    0.9350     3.8190     4.5665     0.0000 
   H  23    1.7320     4.5664     5.3282     0.7970     0.0000 
   H  24    4.2612     2.2063     1.6887     5.1962     5.9932     0.0000 
   H  25    3.4641     1.6887     1.4514     4.3991     5.1961     0.7971 
   H  26    2.9752     5.1961     5.9932     2.2062     1.6887     7.0107 
   H  27    2.3120     4.3991     5.1962     1.6887     1.4514     6.2332 
   H  28    5.9932     3.6917     2.9752     6.9282     7.7252     1.7320 
   H  29    5.1962     2.9752     2.3120     6.1312     6.9282     0.9350 
   H  30    4.5664     6.9282     7.7253     3.6917     2.9752     8.7128 
   H  31    3.8189     6.1311     6.9282     2.9752     2.3120     7.9279 
   H  32    6.2332     3.4641     2.6670     7.1458     7.9279     2.3120 
   H  33    7.0108     4.2612     3.4641     7.9280     8.7128     2.9752 
   H  34    4.4880     7.2452     8.0265     3.5531     2.7563     8.7490 
   H  35    5.3370     8.0360     8.8238     4.4026     3.6063     9.5971 
   H  36    5.2069     7.7181     8.5141     4.2935     3.5240     9.4233 
   H  37    7.9028     5.3074     4.5177     8.8336     9.6277     3.6870 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    6.2331     0.0000 
   H  27    5.4611     0.7970     0.0000 
   H  28    2.5291     8.7127     7.9279     0.0000 
   H  29    1.7321     7.9279     7.1458     0.7970     0.0000 
   H  30    7.9279     1.7321     2.5291    10.4246     9.6360     0.0000 
   H  31    7.1457     0.9350     1.7320     9.6359     8.8488     0.7971 
   H  32    2.9752     8.6602     7.8632     1.4514     1.6887    10.3923 
   H  33    3.6918     9.4573     8.6603     1.6888     2.2063    11.1894 
   H  34    7.9519     2.4199     3.0828    10.4810     9.6840     1.5200 
   H  35    8.8001     3.0231     3.7599    11.3289    10.5320     1.6309 
   H  36    8.6312     2.5475     3.3355    11.1468    10.3534     0.8924 
   H  37    4.4691    10.4828     9.6875     2.0285     2.7806    12.2119 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    9.5952     0.0000 
   H  33   10.3923     0.7971     0.0000 
   H  34    1.7880    10.6576    11.4472     0.0000 
   H  35    2.2128    11.4689    12.2613     0.8768     0.0000 
   H  36    1.6344    11.1784    11.9749     1.2399     0.8768     0.0000 
   H  37   11.4161     1.9203     1.2045    12.3803    13.2128    12.9733 

              H  37
              -----------
   H  37    0.0000 



ATOMIC CHARGES
   O   1   -0.3752411933
   O   2   -0.3752411999
   O   3   -0.3752495724
   O   4   -0.3777699310
   O   5   -0.3927451199
   C   6    0.0711002471
   C   7    0.0711002471
   C   8    0.0711002465
   C   9    0.0710987229
   C  10    0.0711001111
   C  11    0.0709887501
   C  12    0.0708433093
   C  13    0.0449387610
   C  14    0.0675544843
   C  15   -0.0415687225
   H  16    0.0582601748
   H  17    0.0582601748
   H  18    0.0582601748
   H  19    0.0582601748
   H  20    0.0582601748
   H  21    0.0582601748
   H  22    0.0582601686
   H  23    0.0582601686
   H  24    0.0582601742
   H  25    0.0582601742
   H  26    0.0582587048
   H  27    0.0582587048
   H  28    0.0582520089
   H  29    0.0582520089
   H  30    0.0556897794
   H  31    0.0556897794
   H  32    0.0579892762
   H  33    0.0579892762
   H  34    0.0251719057
   H  35    0.0251719057
   H  36    0.0251719057
   H  37    0.2094938696


BOND ANGLES
   6    1    8   C3   O3   C3    119.999
   7    2    9   C3   O3   C3    120.001
  10    3   12   C3   O3   C3    119.999
  11    4   13   C3   O3   C3    120.001
  14    5   37   C3   O3   HO    120.000
   1    6    7   O3   C3   C3    119.999
   1    6   16   O3   C3   HC    160.002
   1    6   17   O3   C3   HC     80.000
   7    6   16   C3   C3   HC     80.000
   7    6   17   C3   C3   HC    160.002
  16    6   17   HC   C3   HC     80.002
   2    7    6   O3   C3   C3    120.001
   2    7   18   O3   C3   HC    159.999
   2    7   19   O3   C3   HC     79.990
   6    7   18   C3   C3   HC     80.000
   6    7   19   C3   C3   HC    160.009
  18    7   19   HC   C3   HC     80.009
   1    8   10   O3   C3   C3    120.001
   1    8   20   O3   C3   HC     80.000
   1    8   21   O3   C3   HC    160.009
  10    8   20   C3   C3   HC    159.999
  10    8   21   C3   C3   HC     79.990
  20    8   21   HC   C3   HC     80.009
   2    9   11   O3   C3   C3    119.999
   2    9   22   O3   C3   HC     80.000
   2    9   23   O3   C3   HC    160.002
  11    9   22   C3   C3   HC    160.002
  11    9   23   C3   C3   HC     80.000
  22    9   23   HC   C3   HC     80.002
   3   10    8   O3   C3   C3    120.001
   3   10   24   O3   C3   HC     80.000
   3   10   25   O3   C3   HC    160.009
   8   10   24   C3   C3   HC    159.999
   8   10   25   C3   C3   HC     79.990
  24   10   25   HC   C3   HC     80.009
   4   11    9   O3   C3   C3    119.999
   4   11   26   O3   C3   HC     80.000
   4   11   27   O3   C3   HC    160.002
   9   11   26   C3   C3   HC    160.002
   9   11   27   C3   C3   HC     80.000
  26   11   27   HC   C3   HC     80.002
   3   12   14   O3   C3   C3    119.999
   3   12   28   O3   C3   HC    160.002
   3   12   29   O3   C3   HC     80.000
  14   12   28   C3   C3   HC     80.000
  14   12   29   C3   C3   HC    160.002
  28   12   29   HC   C3   HC     80.002
   4   13   15   O3   C3   C3    120.001
   4   13   30   O3   C3   HC    159.999
   4   13   31   O3   C3   HC     79.990
  15   13   30   C3   C3   HC     80.000
  15   13   31   C3   C3   HC    160.009
  30   13   31   HC   C3   HC     80.009
   5   14   12   O3   C3   C3    120.001
   5   14   32   O3   C3   HC    159.999
   5   14   33   O3   C3   HC     79.990
  12   14   32   C3   C3   HC     80.000
  12   14   33   C3   C3   HC    160.009
  32   14   33   HC   C3   HC     80.009
  13   15   34   C3   C3   HC     89.999
  13   15   35   C3   C3   HC    179.974
  13   15   36   C3   C3   HC     90.001
  34   15   35   HC   C3   HC     90.000
  34   15   36   HC   C3   HC    179.974
  35   15   36   HC   C3   HC     90.000


TORSION ANGLES
   8    1    6    7    179.974
   8    1    6   16      0.026
   8    1    6   17      0.026
   6    1    8   10    179.974
   6    1    8   20      0.026
   6    1    8   21      0.026
   9    2    7    6    179.974
   9    2    7   18      0.026
   9    2    7   19      0.026
   7    2    9   11    179.974
   7    2    9   22      0.026
   7    2    9   23      0.026
  12    3   10    8    179.974
  12    3   10   24      0.026
  12    3   10   25      0.026
  10    3   12   14    179.974
  10    3   12   28      0.026
  10    3   12   29      0.026
  13    4   11    9    179.974
  13    4   11   26      0.026
  13    4   11   27      0.026
  11    4   13   15    179.974
  11    4   13   30      0.026
  11    4   13   31      0.026
  37    5   14   12    179.974
  37    5   14   32      0.026
  37    5   14   33      0.026
   1    6    7    2    179.974
   1    6    7   18      0.026
   1    6    7   19      0.026
  16    6    7    2      0.026
  16    6    7   18    179.974
  16    6    7   19    179.974
  17    6    7    2      0.026
  17    6    7   18    179.974
  17    6    7   19    179.974
   1    8   10    3    179.974
   1    8   10   24      0.026
   1    8   10   25      0.026
  20    8   10    3      0.026
  20    8   10   24    179.974
  20    8   10   25    179.974
  21    8   10    3      0.026
  21    8   10   24    179.974
  21    8   10   25    179.974
   2    9   11    4    179.974
   2    9   11   26      0.026
   2    9   11   27      0.026
  22    9   11    4      0.026
  22    9   11   26    179.974
  22    9   11   27    179.974
  23    9   11    4      0.026
  23    9   11   26    179.974
  23    9   11   27    179.974
   3   12   14    5    179.974
   3   12   14   32      0.026
   3   12   14   33      0.026
  28   12   14    5      0.026
  28   12   14   32    179.974
  28   12   14   33    179.974
  29   12   14    5      0.026
  29   12   14   32    179.974
  29   12   14   33    179.974
   4   13   15   34      0.026
   4   13   15   35      0.026
   4   13   15   36    179.974
  30   13   15   34    179.974
  30   13   15   35    179.974
  30   13   15   36      0.026
  31   13   15   34    179.974
  31   13   15   35    179.974
  31   13   15   36      0.026