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triethoxy(phenyl)silane
triethoxy(phenyl)silane ID: AN-15483
CAS:780-69-8
Supplier:AN PharmaTech Co Ltd

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SMILES:[Si](OCC)(OCC)(OCC)c1ccccc1	13075
FORMULA: C12H20O3Si
MASS: 240.3709
EXACT MASS: 240.1181710
INTERATOMIC DISTANCES

             Si   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Si   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0000     1.4142     0.0000 
   O   4    1.0000     1.4142     2.0000     0.0000 
   C   5    1.0000     2.0000     1.4142     1.4142     0.0000 
   C   6    1.7320     2.6457     2.3942     1.5060     1.0000     0.0000 
   C   7    1.7320     2.6457     1.5060     2.3942     1.0000     1.7320 
   C   8    1.7320     1.0000     1.5060     2.3942     2.6457     3.4641 
   C   9    1.7320     1.5060     1.0000     2.6457     2.3942     3.3460 
   C  10    1.7320     1.5060     2.6457     1.0000     2.3942     2.4495 
   C  11    2.6457     3.6055     3.1196     2.5036     1.7320     1.0000 
   C  12    2.6457     3.6055     2.5036     3.1196     1.7320     2.0000 
   C  13    3.0000     4.0000     3.1623     3.1623     2.0000     1.7320 
   C  14    2.6457     2.5036     3.6055     1.7320     3.1196     2.8754 
   C  15    2.6457     2.5036     1.7320     3.6055     3.1196     4.1144 
   C  16    2.6457     1.7320     2.5036     3.1196     3.6055     4.3589 
   H  17    1.8397     2.6009     2.6815     1.2564     1.4158     0.6201 
   H  18    1.8397     2.6009     1.2564     2.6815     1.4158     2.2901 
   H  19    1.4156     1.0813     0.9207     2.2716     2.1997     3.1022 
   H  20    2.1829     1.5968     1.6769     2.9527     2.9967     3.8917 
   H  21    2.1829     1.6769     1.5968     2.9967     2.9527     3.8703 
   H  22    1.4156     0.9207     1.0813     2.1997     2.2716     3.1348 
   H  23    1.4156     0.9207     2.1997     1.0813     2.2716     2.5786 
   H  24    2.1829     1.6769     2.9967     1.5968     2.9527     3.0676 
   H  25    3.1408     4.0601     3.6974     2.8388     2.2901     1.4158 
   H  26    3.1408     4.0601     2.8388     3.6974     2.2901     2.6200 
   H  27    3.6200     4.6200     3.7556     3.7556     2.6200     2.2901 
   H  28    2.9083     2.5468     3.8024     2.1114     3.5256     3.4038 
   H  29    3.2380     3.1229     4.2100     2.2901     3.6354     3.2678 
   H  30    2.5121     2.6112     3.5086     1.5200     2.7933     2.3913 
   H  31    2.5121     2.6112     1.5200     3.5086     2.7933     3.7919 
   H  32    3.2380     3.1229     2.2901     4.2100     3.6354     4.6353 
   H  33    2.9083     2.5468     2.1114     3.8024     3.5256     4.4996 
   H  34    2.9083     2.1114     2.5468     3.5256     3.8024     4.6402 
   H  35    3.2380     2.2901     3.1229     3.6354     4.2100     4.9340 
   H  36    2.5121     1.5200     2.6112     2.7933     3.5086     4.1517 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    2.4495     0.8966     0.0000 
   C  10    3.3460     2.4495     3.0000     0.0000 
   C  11    2.0000     4.3589     4.1144     3.4252     0.0000 
   C  12    1.0000     4.0000     3.4252     4.1144     1.7320     0.0000 
   C  13    1.7320     4.5826     4.1468     4.1468     1.0000     1.0000 
   C  14    4.1144     3.4252     4.0000     1.0000     3.7416     4.7602 
   C  15    2.8754     1.7527     1.0000     4.0000     4.7602     3.7416 
   C  16    4.0000     1.0000     1.7527     2.8754     5.2915     5.0000 
   H  17    2.2901     3.5192     3.5573     2.0583     1.4158     2.6200 
   H  18    0.6201     2.7431     2.0583     3.5573     2.6200     1.4158 
   H  19    2.4267     0.6200     0.4250     2.5786     3.9317     3.4240 
   H  20    3.1671     0.6200     0.7421     3.0676     4.7287     4.1528 
   H  21    3.0676     0.7421     0.6200     3.1671     4.6832     4.0452 
   H  22    2.5786     0.4250     0.6200     2.4267     3.9979     3.5785 
   H  23    3.1348     1.8326     2.4267     0.6200     3.5785     3.9979 
   H  24    3.8703     2.4738     3.1671     0.6200     4.0452     4.6832 
   H  25    2.6200     4.8708     4.6841     3.6773     0.6201     2.2901 
   H  26    1.4158     4.3433     3.6773     4.6841     2.2901     0.6201 
   H  27    2.2901     5.1927     4.7301     4.7301     1.4158     1.4158 
   H  28    4.4996     3.3660     4.0478     1.1766     4.3079     5.2171 
   H  29    4.6353     4.0361     4.6200     1.6200     4.0510     5.2171 
   H  30    3.7919     3.5920     4.0478     1.1766     3.1954     4.3440 
   H  31    2.3913     2.0597     1.1766     4.0478     4.3440     3.1954 
   H  32    3.2678     2.3415     1.6200     4.6200     5.2171     4.0510 
   H  33    3.4038     1.6341     1.1766     4.0478     5.2171     4.3079 
   H  34    4.0478     1.1766     1.6341     3.4038     5.5256     5.0383 
   H  35    4.6200     1.6200     2.3415     3.2678     5.8808     5.6200 
   H  36    4.0478     1.1766     2.0597     2.3913     5.1222     5.0383 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.6039     0.0000 
   C  15    4.6039     5.0000     0.0000 
   C  16    5.5678     3.7416     2.3108     0.0000 
   H  17    2.2901     2.3304     4.4114     4.3318     0.0000 
   H  18    2.2901     4.4114     2.3304     3.7289     2.8060     0.0000 
   H  19    4.0630     3.5785     1.4228     1.5967     3.2553     2.1323 
   H  20    4.8385     4.0452     1.2639     1.0812     4.0149     2.7987 
   H  21    4.7565     4.1528     1.0812     1.2639     4.0218     2.6744 
   H  22    4.1800     3.4240     1.5967     1.4228     3.2448     2.3195 
   H  23    4.1800     1.5967     3.4240     2.2809     2.3195     3.2448 
   H  24    4.7565     1.0812     4.1528     2.6770     2.6744     4.0218 
   H  25    1.4158     3.8362     5.3616     5.7745     1.6200     3.2401 
   H  26    1.4158     5.3616     3.8362     5.3371     3.2401     1.6200 
   H  27    0.6200     5.1356     5.1356     6.1810     2.8059     2.8059 
   H  28    5.1356     0.6200     5.0383     3.5154     2.8921     4.7323 
   H  29    4.9679     0.6200     5.6200     4.3079     2.6787     4.9684 
   H  30    4.0971     0.6200     5.0383     4.0510     1.8071     4.1588 
   H  31    4.0971     5.0383     0.6200     2.7840     4.1588     1.8071 
   H  32    4.9679     5.6200     0.6200     2.7840     4.9684     2.6787 
   H  33    5.1356     5.0383     0.6200     1.9231     4.7323     2.8921 
   H  34    5.6972     4.3079     1.9231     0.6200     4.6864     3.6909 
   H  35    6.1810     4.0510     2.7840     0.6200     4.8708     4.3433 
   H  36    5.5055     3.1954     2.7840     0.6200     4.0417     3.8671 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    0.7702     0.1854     0.0000 
   H  22    0.2273     0.7702     0.7971     0.0000 
   H  23    2.0020     2.4519     2.5564     1.8348     0.0000 
   H  24    2.7434     3.0871     3.2154     2.5564     0.7971     0.0000 
   H  25    4.4777     5.2733     5.2382     4.5279     3.9183     4.2915 
   H  26    3.7415     4.4183     4.2915     3.9183     4.5279     5.2382 
   H  27    4.6637     5.4322     5.3442     4.7868     4.7868     5.3442 
   H  28    3.6230     3.9785     4.1077     3.4417     1.6343     0.8923 
   H  29    4.1984     4.6561     4.7670     4.0430     2.2128     1.6309 
   H  30    3.6405     4.2033     4.2881     3.5172     1.7880     1.5201 
   H  31    1.5724     1.7034     1.5201     1.7880     3.5172     4.2881 
   H  32    2.0425     1.8030     1.6309     2.2128     4.0430     4.7670 
   H  33    1.5314     1.0306     0.8923     1.6343     3.4417     4.1077 
   H  34    1.6343     0.8923     1.0306     1.5314     2.7925     3.2586 
   H  35    2.2128     1.6309     1.8030     2.0425     2.7111     2.9698 
   H  36    1.7880     1.5201     1.7034     1.5724     1.8372     2.1174 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.8060     0.0000 
   H  27    1.6200     1.6200     0.0000 
   H  28    4.4338     5.8042     5.6852     0.0000 
   H  29    4.0572     5.8284     5.4643     0.8768     0.0000 
   H  30    3.2469     4.9571     4.6039     1.2400     0.8768     0.0000 
   H  31    4.9571     3.2469     4.6039     5.1515     5.6541     5.0000 
   H  32    5.8284     4.0572     5.4643     5.6541     6.2400     5.6541 
   H  33    5.8042     4.4338     5.6852     5.0000     5.6541     5.1515 
   H  34    6.0450     5.3106     6.2978     4.1130     4.8872     4.5792 
   H  35    6.3493     5.9543     6.7954     3.7416     4.5792     4.4260 
   H  36    5.5602     5.4346     6.1249     2.9272     3.7416     3.5526 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2400     0.8768     0.0000 
   H  34    2.4716     2.3108     1.4340     0.0000 
   H  35    3.3060     3.1876     2.3108     0.8768     0.0000 
   H  36    3.1876     3.3060     2.4716     1.2400     0.8768     0.0000 




ATOMIC CHARGES
  Si   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000


BOND ANGLES
   2    1    3   O3   Si   O3     90.000
   2    1    4   O3   Si   O3     90.000
   2    1    5   O3   Si  Car    179.974
   3    1    4   O3   Si   O3    179.974
   3    1    5   O3   Si  Car     90.000
   4    1    5   O3   Si  Car     90.000
   1    2    8   Si   O3   C3    120.001
   1    3    9   Si   O3   C3    120.001
   1    4   10   Si   O3   C3    120.001
   1    5    6   Si  Car  Car    120.001
   1    5    7   Si  Car  Car    120.001
   6    5    7  Car  Car  Car    119.999
   5    6   11  Car  Car  Car    120.001
   5    6   17  Car  Car   HC    120.002
  11    6   17  Car  Car   HC    119.997
   5    7   12  Car  Car  Car    120.001
   5    7   18  Car  Car   HC    120.002
  12    7   18  Car  Car   HC    119.997
   2    8   16   O3   C3   C3    120.001
   2    8   19   O3   C3   HC     80.004
   2    8   20   O3   C3   HC    160.002
  16    8   19   C3   C3   HC    159.996
  16    8   20   C3   C3   HC     79.997
  19    8   20   HC   C3   HC     79.999
   3    9   15   O3   C3   C3    120.001
   3    9   21   O3   C3   HC    160.002
   3    9   22   O3   C3   HC     80.004
  15    9   21   C3   C3   HC     79.997
  15    9   22   C3   C3   HC    159.996
  21    9   22   HC   C3   HC     79.999
   4   10   14   O3   C3   C3    120.001
   4   10   23   O3   C3   HC     80.004
   4   10   24   O3   C3   HC    160.002
  14   10   23   C3   C3   HC    159.996
  14   10   24   C3   C3   HC     79.997
  23   10   24   HC   C3   HC     79.999
   6   11   13  Car  Car  Car    120.001
   6   11   25  Car  Car   HC    119.997
  13   11   25  Car  Car   HC    120.002
   7   12   13  Car  Car  Car    120.001
   7   12   26  Car  Car   HC    119.997
  13   12   26  Car  Car   HC    120.002
  11   13   12  Car  Car  Car    119.999
  11   13   27  Car  Car   HC    120.001
  12   13   27  Car  Car   HC    120.001
  10   14   28   C3   C3   HC     90.000
  10   14   29   C3   C3   HC    179.974
  10   14   30   C3   C3   HC     90.000
  28   14   29   HC   C3   HC     90.000
  28   14   30   HC   C3   HC    179.974
  29   14   30   HC   C3   HC     90.000
   9   15   31   C3   C3   HC     90.000
   9   15   32   C3   C3   HC    179.974
   9   15   33   C3   C3   HC     90.000
  31   15   32   HC   C3   HC     90.000
  31   15   33   HC   C3   HC    179.974
  32   15   33   HC   C3   HC     90.000
   8   16   34   C3   C3   HC     90.000
   8   16   35   C3   C3   HC    179.974
   8   16   36   C3   C3   HC     90.000
  34   16   35   HC   C3   HC     90.000
  34   16   36   HC   C3   HC    179.974
  35   16   36   HC   C3   HC     90.000


TORSION ANGLES
   3    1    2    8      0.026
   4    1    2    8    179.974
   5    1    2    8    180.000
   2    1    3    9      0.026
   4    1    3    9    180.000
   5    1    3    9    179.974
   2    1    4   10      0.026
   3    1    4   10    180.000
   5    1    4   10    179.974
   2    1    5    6    180.000
   2    1    5    7    180.000
   3    1    5    6    179.974
   3    1    5    7      0.026
   4    1    5    6      0.026
   4    1    5    7    179.974
   1    2    8   16    179.974
   1    2    8   19      0.026
   1    2    8   20      0.026
   1    3    9   15    179.974
   1    3    9   21      0.026
   1    3    9   22      0.026
   1    4   10   14    179.974
   1    4   10   23      0.026
   1    4   10   24      0.026
   1    5    6   11    179.974
   1    5    6   17      0.026
   7    5    6   11      0.026
   7    5    6   17    179.974
   1    5    7   12    179.974
   1    5    7   18      0.026
   6    5    7   12      0.026
   6    5    7   18    179.974
   5    6   11   13      0.026
   5    6   11   25    179.974
  17    6   11   13    179.974
  17    6   11   25      0.026
   5    7   12   13      0.026
   5    7   12   26    179.974
  18    7   12   13    179.974
  18    7   12   26      0.026
   2    8   16   34    179.974
   2    8   16   35    180.000
   2    8   16   36      0.026
  19    8   16   34      0.026
  19    8   16   35    180.000
  19    8   16   36    179.974
  20    8   16   34      0.026
  20    8   16   35    180.000
  20    8   16   36    179.974
   3    9   15   31      0.026
   3    9   15   32    180.000
   3    9   15   33    179.974
  21    9   15   31    179.974
  21    9   15   32    180.000
  21    9   15   33      0.026
  22    9   15   31    179.974
  22    9   15   32    180.000
  22    9   15   33      0.026
   4   10   14   28    179.974
   4   10   14   29    180.000
   4   10   14   30      0.026
  23   10   14   28      0.026
  23   10   14   29    180.000
  23   10   14   30    179.974
  24   10   14   28      0.026
  24   10   14   29    180.000
  24   10   14   30    179.974
   6   11   13   12      0.026
   6   11   13   27    179.974
  25   11   13   12    179.974
  25   11   13   27      0.026
   7   12   13   11      0.026
   7   12   13   27    179.974
  26   12   13   11    179.974
  26   12   13   27      0.026