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cis-Cyclooctene
cis-Cyclooctene ID: API-42882
CAS:931-88-4
Supplier:APIchem

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SMILES:C1CCCC=CCC1	ChemMol.com
FORMULA: C8H14
MASS: 110.1968
EXACT MASS: 110.1095504
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0000     1.8478     0.0000 
   C   4    1.8478     1.0000     2.4142     0.0000 
   C   5    1.8478     2.4142     1.0000     2.6131     0.0000 
   C   6    2.4142     1.8478     2.6131     1.0000     2.4142     0.0000 
   C   7    2.6131     2.4142     2.4142     1.8478     1.8478     1.0000 
   C   8    2.4142     2.6131     1.8478     2.4142     1.0000     1.8478 
   H   9    1.5679     0.6200     2.4637     1.0312     3.0173     2.0243 
   H  10    1.0312     0.6200     2.0243     1.5679     2.7766     2.4638 
   H  11    0.6200     1.0312     1.5679     2.0243     2.4638     2.7766 
   H  12    0.6200     1.5679     1.0312     2.4637     2.0243     3.0173 
   H  13    1.0312     2.0243     0.6200     2.7766     1.5679     3.1278 
   H  14    1.5679     2.4638     0.6200     3.0174     1.0312     3.1279 
   H  15    2.4638     1.5679     3.0174     0.6200     3.1279     1.0312 
   H  16    2.0243     1.0312     2.7766     0.6200     3.1278     1.5679 
   H  17    2.0243     2.7766     1.0312     3.1279     0.6200     3.0174 
   H  18    2.4637     3.0173     1.5679     3.1278     0.6200     2.7766 
   H  19    3.0173     2.4637     3.1278     1.5679     2.7766     0.6200 
   H  20    2.7766     2.0243     3.1279     1.0312     3.0174     0.6200 
   H  21    3.2331     2.9964     2.9964     2.3278     2.3278     1.3634 
   H  22    2.9964     3.2331     2.3278     2.9964     1.3634     2.3278 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    2.7766     3.1278     0.0000 
   H  10    3.0174     3.1279     0.7549     0.0000 
   H  11    3.1279     3.0174     1.4064     0.6790     0.0000 
   H  12    3.1278     2.7766     2.0738     1.4064     0.7549     0.0000 
   H  13    3.0173     2.4637     2.5988     2.0096     1.4065     0.6791 
   H  14    2.7766     2.0243     3.0771     2.5988     2.0739     1.4065 
   H  15    2.0243     2.7766     1.4065     2.0739     2.5988     3.0771 
   H  16    2.4637     3.0173     0.6791     1.4065     2.0096     2.5988 
   H  17    2.4638     1.5679     3.3954     3.0342     2.5988     2.0096 
   H  18    2.0243     1.0312     3.6119     3.3954     3.0771     2.5988 
   H  19    1.0312     2.0243     2.5988     3.0771     3.3954     3.6119 
   H  20    1.5679     2.4638     2.0096     2.5988     3.0342     3.3954 
   H  21    0.6200     1.3635     3.3106     3.6079     3.7441     3.7441 
   H  22    1.3635     0.6200     3.7441     3.7441     3.6079     3.3106 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7549     0.0000 
   H  15    3.3955     3.6120     0.0000 
   H  16    3.0342     3.3955     0.7549     0.0000 
   H  17    1.4064     0.6790     3.6753     3.5969     0.0000 
   H  18    2.0738     1.4064     3.5969     3.6752     0.7549     0.0000 
   H  19    3.6752     3.5969     1.4064     2.0738     3.3955     3.0342 
   H  20    3.5969     3.6753     0.6790     1.4064     3.6120     3.3955 
   H  21    3.6079     3.3106     2.3736     2.9227     2.9229     2.3737 
   H  22    2.9227     2.3736     3.3106     3.6079     1.7936     1.0771 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    0.7549     0.0000 
   H  21    1.0771     1.7936     0.0000 
   H  22    2.3737     2.9229     1.4746     0.0000 



ATOMIC CHARGES
   C   1   -0.0527700460
   C   2   -0.0527700460
   C   3   -0.0496159934
   C   4   -0.0496159934
   C   5   -0.0347606550
   C   6   -0.0347606550
   C   7   -0.0879316590
   C   8   -0.0879316590
   H   9    0.0265376533
   H  10    0.0265376533
   H  11    0.0265376533
   H  12    0.0265376533
   H  13    0.0268217779
   H  14    0.0268217779
   H  15    0.0268217779
   H  16    0.0268217779
   H  17    0.0307319297
   H  18    0.0307319297
   H  19    0.0307319297
   H  20    0.0307319297
   H  21    0.0568956315
   H  22    0.0568956315


BOND ANGLES
   2    1    3   C3   C3   C3    135.000
   2    1   11   C3   C3   HC     74.998
   2    1   12   C3   C3   HC    149.998
   3    1   11   C3   C3   HC    150.002
   3    1   12   C3   C3   HC     75.002
  11    1   12   HC   C3   HC     75.001
   1    2    4   C3   C3   C3    135.000
   1    2    9   C3   C3   HC    149.998
   1    2   10   C3   C3   HC     74.998
   4    2    9   C3   C3   HC     75.002
   4    2   10   C3   C3   HC    150.002
   9    2   10   HC   C3   HC     75.001
   1    3    5   C3   C3   C3    135.000
   1    3   13   C3   C3   HC     75.002
   1    3   14   C3   C3   HC    150.002
   5    3   13   C3   C3   HC    149.998
   5    3   14   C3   C3   HC     74.998
  13    3   14   HC   C3   HC     75.001
   2    4    6   C3   C3   C3    135.000
   2    4   15   C3   C3   HC    150.002
   2    4   16   C3   C3   HC     75.002
   6    4   15   C3   C3   HC     74.998
   6    4   16   C3   C3   HC    149.998
  15    4   16   HC   C3   HC     75.001
   3    5    8   C3   C3   C2    135.000
   3    5   17   C3   C3   HC     74.998
   3    5   18   C3   C3   HC    149.998
   8    5   17   C2   C3   HC    150.002
   8    5   18   C2   C3   HC     75.002
  17    5   18   HC   C3   HC     75.001
   4    6    7   C3   C3   C2    135.000
   4    6   19   C3   C3   HC    149.998
   4    6   20   C3   C3   HC     74.998
   7    6   19   C2   C3   HC     75.002
   7    6   20   C2   C3   HC    150.002
  19    6   20   HC   C3   HC     75.001
   6    7    8   C3   C2   C2    135.000
   6    7   21   C3   C2   HC    112.497
   8    7   21   C2   C2   HC    112.503
   5    8    7   C3   C2   C2    135.000
   5    8   22   C3   C2   HC    112.497
   7    8   22   C2   C2   HC    112.503


TORSION ANGLES
   3    1    2    4      0.026
   3    1    2    9    179.974
   3    1    2   10    179.974
  11    1    2    4    179.974
  11    1    2    9      0.026
  11    1    2   10      0.026
  12    1    2    4    179.974
  12    1    2    9      0.026
  12    1    2   10      0.026
   2    1    3    5      0.026
   2    1    3   13    179.974
   2    1    3   14    179.974
  11    1    3    5    179.974
  11    1    3   13      0.026
  11    1    3   14      0.026
  12    1    3    5    179.974
  12    1    3   13      0.026
  12    1    3   14      0.026
   1    2    4    6      0.026
   1    2    4   15    179.974
   1    2    4   16    179.974
   9    2    4    6    179.974
   9    2    4   15      0.026
   9    2    4   16      0.026
  10    2    4    6    179.974
  10    2    4   15      0.026
  10    2    4   16      0.026
   1    3    5    8      0.026
   1    3    5   17    179.974
   1    3    5   18    179.974
  13    3    5    8    179.974
  13    3    5   17      0.026
  13    3    5   18      0.026
  14    3    5    8    179.974
  14    3    5   17      0.026
  14    3    5   18      0.026
   2    4    6    7      0.026
   2    4    6   19    179.974
   2    4    6   20    179.974
  15    4    6    7    179.974
  15    4    6   19      0.026
  15    4    6   20      0.026
  16    4    6    7    179.974
  16    4    6   19      0.026
  16    4    6   20      0.026
   3    5    8    7      0.026
   3    5    8   22    179.974
  17    5    8    7    179.974
  17    5    8   22      0.026
  18    5    8    7    179.974
  18    5    8   22      0.026
   4    6    7    8      0.026
   4    6    7   21    179.974
  19    6    7    8    179.974
  19    6    7   21      0.026
  20    6    7    8    179.974
  20    6    7   21      0.026
   6    7    8    5      0.026
   6    7    8   22    179.974
  21    7    8    5    179.974
  21    7    8   22      0.026