Sign In Join Free

Products Information

Cyclohexyl methyl ether
Cyclohexyl methyl ether ID: API-42879
CAS:931-56-6
Supplier:APIchem

Get a quote


SMILES:O(C1CCCCC1)C	ChemMol.com
FORMULA: C7H14O
MASS: 114.1855
EXACT MASS: 114.1044651
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.7320     1.0000     0.0000 
   C   4    1.7320     1.0000     1.7320     0.0000 
   C   5    2.6457     1.7320     1.0000     2.0000     0.0000 
   C   6    2.6457     1.7320     2.0000     1.0000     1.7320     0.0000 
   C   7    3.0000     2.0000     1.7320     1.7320     1.0000     1.0000 
   C   8    1.0000     1.7320     2.6457     2.0000     3.4641     3.0000 
   H   9    0.8743     0.6201     1.6200     0.8743     2.2901     1.8397 
   H  10    2.1829     1.5968     2.3451     0.6200     2.5068     1.0812 
   H  11    1.4156     1.0813     2.0295     0.6200     2.5068     1.5967 
   H  12    1.4155     1.0812     0.6200     2.0294     1.5967     2.5067 
   H  13    2.1829     1.5968     0.6200     2.3451     1.0812     2.5068 
   H  14    2.8113     2.0295     1.0812     2.5068     0.6200     2.3451 
   H  15    3.2657     2.3451     1.5967     2.5067     0.6200     2.0294 
   H  16    3.2657     2.3451     2.5068     1.5967     2.0295     0.6200 
   H  17    2.8113     2.0295     2.5068     1.0812     2.3451     0.6200 
   H  18    3.4978     2.5069     2.0296     2.3451     1.0813     1.5967 
   H  19    3.4978     2.5069     2.3452     2.0296     1.5968     1.0812 
   H  20    1.1766     1.5200     2.5121     1.4956     3.1995     2.4825 
   H  21    1.6200     2.2901     3.2380     2.3716     4.0130     3.3533 
   H  22    1.1766     2.1114     2.9083     2.5558     3.8121     3.5505 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.6055     0.0000 
   H   9    2.3716     1.2346     0.0000 
   H  10    2.0295     2.1944     1.3134     0.0000 
   H  11    2.3451     1.4332     0.5869     0.7971     0.0000 
   H  12    2.3451     2.4059     1.6309     2.6462     2.1561     0.0000 
   H  13    2.0295     3.1512     2.2129     2.9532     2.6463     0.7971 
   H  14    1.5968     3.7220     2.6367     3.0556     2.9499     1.5278 
   H  15    1.0812     4.0760     2.8867     2.9498     3.0556     2.1652 
   H  16    1.0813     3.5889     2.4530     1.5278     2.1652     3.0556 
   H  17    1.5968     2.9561     1.9444     0.7846     1.5278     2.9498 
   H  18    0.6200     4.1713     2.9379     2.6463     2.9532     2.6463 
   H  19    0.6201     4.0024     2.7884     2.1561     2.6463     2.9532 
   H  20    3.1879     0.6200     0.9137     1.5993     0.8859     2.4199 
   H  21    4.0601     0.6201     1.7320     2.4188     1.7577     3.0231 
   H  22    4.0750     0.6200     1.7270     2.8003     2.0228     2.5474 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7846     0.0000 
   H  15    1.5278     0.7971     0.0000 
   H  16    2.9499     2.6463     2.1561     0.0000 
   H  17    3.0556     2.9532     2.6462     0.7971     0.0000 
   H  18    2.1562     1.5279     0.7847     1.5278     2.1652     0.0000 
   H  19    2.6464     2.1653     1.5278     0.7847     1.5278     0.7971 
   H  20    3.0828     3.5474     3.7890     3.0473     2.3745     3.7815 
   H  21    3.7600     4.3066     4.6160     3.9061     3.2031     4.6483 
   H  22    3.3355     3.9863     4.4317     4.1525     3.5506     4.6118 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    3.5249     0.0000 
   H  21    4.4011     0.8768     0.0000 
   H  22    4.5146     1.2399     0.8769     0.0000 



ATOMIC CHARGES
   O   1   -0.3797649332
   C   2    0.0583412666
   C   3   -0.0266121524
   C   4   -0.0266121524
   C   5   -0.0507152821
   C   6   -0.0507152821
   C   7   -0.0528967378
   C   8    0.0367984498
   H   9    0.0595607694
   H  10    0.0290099281
   H  11    0.0290099281
   H  12    0.0290099281
   H  13    0.0290099281
   H  14    0.0266078912
   H  15    0.0266078912
   H  16    0.0266078912
   H  17    0.0266078912
   H  18    0.0265304746
   H  19    0.0265304746
   H  20    0.0523612760
   H  21    0.0523612760
   H  22    0.0523612760


BOND ANGLES
   2    1    8   C3   O3   C3    120.001
   1    2    3   O3   C3   C3    120.001
   1    2    4   O3   C3   C3    120.001
   1    2    9   O3   C3   HC     60.003
   3    2    4   C3   C3   C3    119.999
   3    2    9   C3   C3   HC    179.974
   4    2    9   C3   C3   HC     59.998
   2    3    5   C3   C3   C3    120.001
   2    3   12   C3   C3   HC     79.995
   2    3   13   C3   C3   HC    160.002
   5    3   12   C3   C3   HC    160.004
   5    3   13   C3   C3   HC     79.997
  12    3   13   HC   C3   HC     80.007
   2    4    6   C3   C3   C3    120.001
   2    4   10   C3   C3   HC    160.002
   2    4   11   C3   C3   HC     80.004
   6    4   10   C3   C3   HC     79.997
   6    4   11   C3   C3   HC    159.996
  10    4   11   HC   C3   HC     79.999
   3    5    7   C3   C3   C3    120.001
   3    5   14   C3   C3   HC     79.997
   3    5   15   C3   C3   HC    160.004
   7    5   14   C3   C3   HC    160.002
   7    5   15   C3   C3   HC     79.995
  14    5   15   HC   C3   HC     80.007
   4    6    7   C3   C3   C3    120.001
   4    6   16   C3   C3   HC    159.996
   4    6   17   C3   C3   HC     79.997
   7    6   16   C3   C3   HC     80.004
   7    6   17   C3   C3   HC    160.002
  16    6   17   HC   C3   HC     79.999
   5    7    6   C3   C3   C3    119.999
   5    7   18   C3   C3   HC     80.006
   5    7   19   C3   C3   HC    160.003
   6    7   18   C3   C3   HC    159.996
   6    7   19   C3   C3   HC     79.999
  18    7   19   HC   C3   HC     79.997
   1    8   20   O3   C3   HC     90.001
   1    8   21   O3   C3   HC    179.974
   1    8   22   O3   C3   HC     89.999
  20    8   21   HC   C3   HC     89.995
  20    8   22   HC   C3   HC    179.974
  21    8   22   HC   C3   HC     90.005


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