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triethoxymethoxyethane
triethoxymethoxyethane ID: AN-23934
CAS:78-09-1
Supplier:AN PharmaTech Co Ltd

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SMILES:O(C(OCC)(OCC)OCC)CC	66213
FORMULA: C9H20O4
MASS: 192.2527
EXACT MASS: 192.1361591
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    1.4142     1.4142     0.0000 
   O   4    1.4142     1.4143     2.0000     0.0000 
   C   5    1.0000     1.0001     1.0000     1.0000     0.0000 
   C   6    1.0000     2.6458     2.3941     1.5059     1.7320     0.0000 
   C   7    2.6458     1.0000     1.5060     2.3942     1.7321     3.4641 
   C   8    1.5059     2.3941     1.0000     2.6457     1.7320     2.4494 
   C   9    2.3941     1.5060     2.6457     1.0000     1.7320     2.4494 
   C  10    1.7321     3.6056     3.1196     2.5036     2.6458     1.0001 
   C  11    3.6055     1.7320     2.5036     3.1196     2.6458     4.3589 
   C  12    2.5036     3.1197     1.7321     3.6055     2.6458     3.4252 
   C  13    3.1196     2.5036     3.6055     1.7321     2.6458     2.8754 
   H  14    1.0812     2.1997     2.2715     0.9207     1.4155     0.6199 
   H  15    1.5968     2.9968     2.9526     1.6768     2.1829     0.6200 
   H  16    2.1996     1.0812     0.9207     2.2715     1.4155     3.1021 
   H  17    2.9967     1.5967     1.6768     2.9526     2.1829     3.8917 
   H  18    0.9207     2.2716     1.0812     2.1996     1.4155     1.8326 
   H  19    1.6768     2.9527     1.5968     2.9967     2.1829     2.4738 
   H  20    2.2716     0.9207     2.1996     1.0813     1.4156     2.5786 
   H  21    2.9527     1.6768     2.9967     1.5968     2.1829     3.0676 
   H  22    2.1115     3.8025     3.5257     2.5468     2.9083     1.1767 
   H  23    2.2901     4.2101     3.6354     3.1229     3.2380     1.6200 
   H  24    1.5201     3.5087     2.7933     2.6112     2.5121     1.1766 
   H  25    3.8024     2.1114     2.5468     3.5257     2.9083     4.6402 
   H  26    4.2100     2.2900     3.1229     3.6354     3.2380     4.9339 
   H  27    3.5086     1.5200     2.6112     2.7933     2.5121     4.1517 
   H  28    2.5468     3.5257     2.1115     3.8024     2.9083     3.3661 
   H  29    3.1229     3.6354     2.2901     4.2100     3.2380     4.0361 
   H  30    2.6113     2.7933     1.5201     3.5087     2.5121     3.5920 
   H  31    3.5257     2.5468     3.8024     2.1115     2.9083     3.4039 
   H  32    3.6354     3.1229     4.2100     2.2901     3.2380     3.2678 
   H  33    2.7933     2.6113     3.5086     1.5201     2.5121     2.3914 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.4495     0.0000 
   C   9    2.4495     3.4640     0.0000 
   C  10    4.3590     2.8754     3.4252     0.0000 
   C  11    1.0000     3.4252     2.8754     5.2915     0.0000 
   C  12    2.8754     1.0001     4.3589     3.7417     3.7417     0.0000 
   C  13    3.4253     4.3589     1.0001     3.7417     3.7417     5.2915 
   H  14    3.1022     2.5785     1.8326     1.5968     3.9317     3.5784 
   H  15    3.8918     3.0676     2.4738     1.0812     4.7288     4.0452 
   H  16    0.6200     1.8326     2.5785     3.9317     1.5968     2.2809 
   H  17    0.6199     2.4738     3.0676     4.7288     1.0812     2.6771 
   H  18    2.5786     0.6199     3.1021     2.2809     3.5784     1.5968 
   H  19    3.0676     0.6200     3.8917     2.6771     4.0452     1.0812 
   H  20    1.8326     3.1021     0.6200     3.5785     2.2808     3.9317 
   H  21    2.4738     3.8917     0.6201     4.0452     2.6770     4.7288 
   H  22    4.6403     3.4038     3.3661     0.6200     5.5256     4.3079 
   H  23    4.9340     3.2678     4.0361     0.6200     5.8809     4.0510 
   H  24    4.1518     2.3914     3.5920     0.6200     5.1222     3.1954 
   H  25    1.1766     3.3661     3.4038     5.5256     0.6200     3.5155 
   H  26    1.6199     4.0361     3.2678     5.8809     0.6200     4.3079 
   H  27    1.1766     3.5920     2.3914     5.1222     0.6200     4.0510 
   H  28    3.4039     1.1767     4.6402     3.5155     4.3079     0.6200 
   H  29    3.2678     1.6200     4.9339     4.3079     4.0510     0.6200 
   H  30    2.3914     1.1767     4.1517     4.0511     3.1954     0.6201 
   H  31    3.3661     4.6402     1.1767     4.3080     3.5154     5.5256 
   H  32    4.0361     4.9339     1.6200     4.0510     4.3079     5.8809 
   H  33    3.5920     4.1517     1.1766     3.1954     4.0510     5.1222 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    2.2809     0.0000 
   H  15    2.6771     0.7971     0.0000 
   H  16    3.5784     2.8311     3.5920     0.0000 
   H  17    4.0452     3.5920     4.3658     0.7971     0.0000 
   H  18    3.9317     2.0019     2.4519     2.0019     2.7433     0.0000 
   H  19    4.7288     2.7433     3.0871     2.4519     3.0871     0.7971 
   H  20    1.5968     2.0020     2.7434     2.0018     2.4518     2.8311 
   H  21    1.0813     2.4519     3.0871     2.7433     3.0870     3.5920 
   H  22    3.5155     1.6344     0.8924     4.2724     5.0646     2.7926 
   H  23    4.3079     2.2128     1.6309     4.4810     5.2763     2.7111 
   H  24    4.0510     1.7880     1.5200     3.6649     4.4543     1.8373 
   H  25    4.3079     4.2724     5.0646     1.6344     0.8924     3.6230 
   H  26    4.0510     4.4810     5.2763     2.2128     1.6309     4.1983 
   H  27    3.1954     3.6649     4.4543     1.7880     1.5200     3.6405 
   H  28    5.5256     3.6230     3.9785     2.7926     3.2586     1.6344 
   H  29    5.8809     4.1983     4.6560     2.7111     2.9699     2.2128 
   H  30    5.1222     3.6405     4.2033     1.8373     2.1175     1.7880 
   H  31    0.6201     2.7926     3.2587     3.6229     3.9784     4.2724 
   H  32    0.6200     2.7111     2.9699     4.1983     4.6560     4.4810 
   H  33    0.6200     1.8373     2.1175     3.6405     4.2032     3.6649 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.5920     0.0000 
   H  21    4.3658     0.7971     0.0000 
   H  22    3.2586     3.6231     3.9786     0.0000 
   H  23    2.9699     4.1984     4.6561     0.8768     0.0000 
   H  24    2.1175     3.6405     4.2033     1.2399     0.8768     0.0000 
   H  25    3.9785     2.7925     3.2585     5.8167     6.0924     5.2915 
   H  26    4.6560     2.7110     2.9698     6.0924     6.4759     5.7290 
   H  27    4.2032     1.8372     2.1174     5.2915     5.7290     5.0242 
   H  28    0.8924     4.2724     5.0646     4.1130     3.7417     2.9273 
   H  29    1.6309     4.4810     5.2762     4.8873     4.5792     3.7417 
   H  30    1.5201     3.6649     4.4543     4.5792     4.4261     3.5527 
   H  31    5.0646     1.6344     0.8924     4.1131     4.8873     4.5792 
   H  32    5.2763     2.2128     1.6310     3.7417     4.5792     4.4260 
   H  33    4.4543     1.7880     1.5201     2.9273     3.7417     3.5526 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.2399     0.8768     0.0000 
   H  28    4.1130     4.8873     4.5792     0.0000 
   H  29    3.7417     4.5792     4.4260     0.8768     0.0000 
   H  30    2.9273     3.7416     3.5526     1.2400     0.8768     0.0000 
   H  31    4.1129     3.7416     2.9273     5.8167     6.0923     5.2915 
   H  32    4.8873     4.5792     3.7417     6.0924     6.4759     5.7290 
   H  33    4.5792     4.4260     3.5526     5.2915     5.7290     5.0242 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32    0.8769     0.0000 
   H  33    1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.3029448047
   O   2   -0.3029448047
   O   3   -0.3029448047
   O   4   -0.3029448047
   C   5    0.4158726427
   C   6    0.0528310430
   C   7    0.0528310430
   C   8    0.0528310430
   C   9    0.0528310430
   C  10   -0.0412974450
   C  11   -0.0412974450
   C  12   -0.0412974450
   C  13   -0.0412974450
   H  14    0.0559585881
   H  15    0.0559585881
   H  16    0.0559585881
   H  17    0.0559585881
   H  18    0.0559585881
   H  19    0.0559585881
   H  20    0.0559585881
   H  21    0.0559585881
   H  22    0.0251752899
   H  23    0.0251752899
   H  24    0.0251752899
   H  25    0.0251752899
   H  26    0.0251752899
   H  27    0.0251752899
   H  28    0.0251752899
   H  29    0.0251752899
   H  30    0.0251752899
   H  31    0.0251752899
   H  32    0.0251752899
   H  33    0.0251752899


BOND ANGLES
   5    1    6   C3   O3   C3    119.999
   5    2    7   C3   O3   C3    120.001
   5    3    8   C3   O3   C3    119.999
   5    4    9   C3   O3   C3    119.999
   1    5    2   O3   C3   O3    179.974
   1    5    3   O3   C3   O3     90.000
   1    5    4   O3   C3   O3     90.000
   2    5    3   O3   C3   O3     89.997
   2    5    4   O3   C3   O3     90.003
   3    5    4   O3   C3   O3    179.974
   1    6   10   O3   C3   C3    120.001
   1    6   14   O3   C3   HC     80.000
   1    6   15   O3   C3   HC    160.009
  10    6   14   C3   C3   HC    159.999
  10    6   15   C3   C3   HC     79.990
  14    6   15   HC   C3   HC     80.009
   2    7   11   O3   C3   C3    119.999
   2    7   16   O3   C3   HC     79.993
   2    7   17   O3   C3   HC    160.002
  11    7   16   C3   C3   HC    160.009
  11    7   17   C3   C3   HC     80.000
  16    7   17   HC   C3   HC     80.009
   3    8   12   O3   C3   C3    120.001
   3    8   18   O3   C3   HC     80.000
   3    8   19   O3   C3   HC    160.009
  12    8   18   C3   C3   HC    159.999
  12    8   19   C3   C3   HC     79.990
  18    8   19   HC   C3   HC     80.009
   4    9   13   O3   C3   C3    120.001
   4    9   20   O3   C3   HC     80.006
   4    9   21   O3   C3   HC    160.003
  13    9   20   C3   C3   HC    159.993
  13    9   21   C3   C3   HC     79.996
  20    9   21   HC   C3   HC     79.997
   6   10   22   C3   C3   HC     90.004
   6   10   23   C3   C3   HC    179.974
   6   10   24   C3   C3   HC     89.996
  22   10   23   HC   C3   HC     90.000
  22   10   24   HC   C3   HC    179.974
  23   10   24   HC   C3   HC     90.000
   7   11   25   C3   C3   HC     90.001
   7   11   26   C3   C3   HC    179.974
   7   11   27   C3   C3   HC     89.999
  25   11   26   HC   C3   HC     90.000
  25   11   27   HC   C3   HC    179.974
  26   11   27   HC   C3   HC     90.000
   8   12   28   C3   C3   HC     90.004
   8   12   29   C3   C3   HC    179.974
   8   12   30   C3   C3   HC     90.001
  28   12   29   HC   C3   HC     90.000
  28   12   30   HC   C3   HC    179.974
  29   12   30   HC   C3   HC     89.995
   9   13   31   C3   C3   HC     89.999
   9   13   32   C3   C3   HC    179.974
   9   13   33   C3   C3   HC     89.996
  31   13   32   HC   C3   HC     90.005
  31   13   33   HC   C3   HC    179.974
  32   13   33   HC   C3   HC     90.000


TORSION ANGLES
   6    1    5    2    179.974
   6    1    5    3    179.974
   6    1    5    4      0.026
   5    1    6   10    179.974
   5    1    6   14      0.026
   5    1    6   15      0.026
   7    2    5    1      0.026
   7    2    5    3      0.026
   7    2    5    4    179.974
   5    2    7   11    179.974
   5    2    7   16      0.026
   5    2    7   17      0.026
   8    3    5    1      0.026
   8    3    5    2    179.974
   8    3    5    4    180.000
   5    3    8   12    179.974
   5    3    8   18      0.026
   5    3    8   19      0.026
   9    4    5    1    179.974
   9    4    5    2      0.026
   9    4    5    3    180.000
   5    4    9   13    179.974
   5    4    9   20      0.026
   5    4    9   21      0.026
   1    6   10   22    179.974
   1    6   10   23      0.026
   1    6   10   24      0.026
  14    6   10   22      0.026
  14    6   10   23    179.974
  14    6   10   24    179.974
  15    6   10   22      0.026
  15    6   10   23    179.974
  15    6   10   24    179.974
   2    7   11   25    179.974
   2    7   11   26      0.026
   2    7   11   27      0.026
  16    7   11   25      0.026
  16    7   11   26    179.974
  16    7   11   27    179.974
  17    7   11   25      0.026
  17    7   11   26    179.974
  17    7   11   27    179.974
   3    8   12   28    179.974
   3    8   12   29      0.026
   3    8   12   30      0.026
  18    8   12   28      0.026
  18    8   12   29    179.974
  18    8   12   30    179.974
  19    8   12   28      0.026
  19    8   12   29    179.974
  19    8   12   30    179.974
   4    9   13   31    179.974
   4    9   13   32      0.026
   4    9   13   33      0.026
  20    9   13   31      0.026
  20    9   13   32    179.974
  20    9   13   33    179.974
  21    9   13   31      0.026
  21    9   13   32    179.974
  21    9   13   33    179.974