Sign In Join Free

Products Information

4,4-Dimethylcyclohexan-1-ol
4,4-Dimethylcyclohexan-1-ol ID: API-42883
CAS:932-01-4
Supplier:APIchem

Get a quote


SMILES:OC1CCC(CC1)(C)C	ChemMol.com
FORMULA: C8H16O
MASS: 128.2120
EXACT MASS: 128.1201151
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    3.0000     0.0000 
   C   3    2.6457     1.0000     0.0000 
   C   4    2.6457     1.0000     1.7320     0.0000 
   C   5    1.7320     1.7320     1.0000     2.0000     0.0000 
   C   6    1.7320     1.7320     2.0000     1.0000     1.7320     0.0000 
   C   7    1.0000     2.0000     1.7320     1.7320     1.0000     1.0000 
   C   8    3.8982     1.0000     1.9318     1.4142     2.7320     2.3941 
   C   9    3.8982     1.0000     1.4142     1.9318     2.3941     2.7320 
   H  10    2.8113     1.5968     2.3451     0.6200     2.5068     1.0812 
   H  11    3.2657     1.0813     2.0295     0.6200     2.5068     1.5967 
   H  12    3.2657     1.0812     0.6200     2.0294     1.5967     2.5067 
   H  13    2.8113     1.5968     0.6200     2.3451     1.0812     2.5068 
   H  14    1.4156     2.3451     2.5068     1.5967     2.0295     0.6200 
   H  15    2.1828     2.0296     2.5068     1.0813     2.3451     0.6200 
   H  16    2.1828     2.0296     1.0813     2.5068     0.6200     2.3451 
   H  17    1.4155     2.3451     1.5967     2.5067     0.6200     2.0294 
   H  18    0.8743     2.3716     2.2901     1.8397     1.6200     0.8743 
   H  19    4.1762     1.1766     1.9038     1.8698     2.8242     2.8015 
   H  20    4.4769     1.6200     1.9038     2.5358     2.9035     3.3521 
   H  21    3.7041     1.1766     1.0697     2.1763     2.0631     2.8015 
   H  22    3.7041     1.1766     2.1764     1.0698     2.8015     2.0631 
   H  23    4.4769     1.6200     2.5358     1.9038     3.3521     2.9035 
   H  24    4.1762     1.1766     1.8699     1.9037     2.8015     2.8242 
   H  25    0.6200     3.3533     2.8292     3.1407     1.8397     2.2900 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.9093     0.0000 
   C   9    2.9093     1.0000     0.0000 
   H  10    2.0295     1.7679     2.4655     0.0000 
   H  11    2.3451     0.9736     1.7618     0.7971     0.0000 
   H  12    2.3451     1.7618     0.9735     2.6462     2.1561     0.0000 
   H  13    2.0295     2.4655     1.7679     2.9532     2.6463     0.7971 
   H  14    1.0813     3.0047     3.3443     1.5278     2.1652     3.0556 
   H  15    1.5967     2.4605     3.0012     0.7847     1.5279     2.9498 
   H  16    1.5967     3.0012     2.4605     3.0557     2.9499     1.5279 
   H  17    1.0812     3.3443     3.0047     2.9498     3.0556     2.1652 
   H  18    0.6201     3.1762     3.3410     1.9444     2.4530     2.8867 
   H  19    3.1762     0.5572     0.6201     2.2922     1.5098     1.5616 
   H  20    3.4981     1.4158     0.6201     3.0449     2.3040     1.3473 
   H  21    2.7583     1.5679     0.6200     2.7698     2.1673     0.4752 
   H  22    2.7584     0.6201     1.5680     1.2440     0.4752     2.1673 
   H  23    3.4981     0.6201     1.4158     2.1183     1.3473     2.3039 
   H  24    3.1762     0.6200     0.5573     2.3393     1.5616     1.5098 
   H  25    1.4158     4.3028     4.1762     3.3700     3.7574     3.4355 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.9499     0.0000 
   H  15    3.0557     0.7970     0.0000 
   H  16    0.7847     2.6463     2.9532     0.0000 
   H  17    1.5278     2.1561     2.6462     0.7970     0.0000 
   H  18    2.6367     0.5869     1.3133     2.2128     1.6309     0.0000 
   H  19    2.3394     3.4209     2.9443     2.9812     3.4441     3.5217 
   H  20    2.1183     3.9641     3.6115     2.8738     3.4959     3.9498 
   H  21    1.2440     3.3816     3.1802     1.9974     2.6389     3.2697 
   H  22    2.7699     2.6389     1.9974     3.1803     3.3816     2.9093 
   H  23    3.0449     3.4959     2.8738     3.6115     3.9641     3.7230 
   H  24    2.2922     3.4441     2.9812     2.9444     3.4209     3.5329 
   H  25    2.8610     2.0285     2.7805     2.1355     1.3414     1.4674 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8769     0.0000 
   H  21    1.2400     0.8769     0.0000 
   H  22    1.1766     2.0319     2.0739     0.0000 
   H  23    0.8056     1.6200     2.0319     0.8769     0.0000 
   H  24    0.0739     0.8057     1.1766     1.2400     0.8768     0.0000 
   H  25    4.5226     4.7209     3.8982     4.1741     4.9017     4.5138 

              H  25
              -----------
   H  25    0.0000 



ATOMIC CHARGES
   O   1   -0.3917857856
   C   2   -0.0347130581
   C   3   -0.0455364609
   C   4   -0.0455364609
   C   5   -0.0263710737
   C   6   -0.0263710737
   C   7    0.0552913518
   C   8   -0.0598090954
   C   9   -0.0598090954
   H  10    0.0271226011
   H  11    0.0271226011
   H  12    0.0271226011
   H  13    0.0271226011
   H  14    0.0290192298
   H  15    0.0290192298
   H  16    0.0290192298
   H  17    0.0290192298
   H  18    0.0593053988
   H  19    0.0234986542
   H  20    0.0234986542
   H  21    0.0234986542
   H  22    0.0234986542
   H  23    0.0234986542
   H  24    0.0234986542
   H  25    0.2097761043


BOND ANGLES
   7    1   25   C3   O3   HO    120.002
   3    2    4   C3   C3   C3    119.999
   3    2    8   C3   C3   C3    150.001
   3    2    9   C3   C3   C3     90.000
   4    2    8   C3   C3   C3     90.000
   4    2    9   C3   C3   C3    150.001
   8    2    9   C3   C3   C3     60.001
   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   16   C3   C3   HC     80.006
   3    5   17   C3   C3   HC    160.004
   7    5   16   C3   C3   HC    159.993
   7    5   17   C3   C3   HC     79.995
  16    5   17   HC   C3   HC     79.998
   4    6    7   C3   C3   C3    120.001
   4    6   14   C3   C3   HC    159.996
   4    6   15   C3   C3   HC     80.006
   7    6   14   C3   C3   HC     80.004
   7    6   15   C3   C3   HC    159.993
  14    6   15   HC   C3   HC     79.990
   1    7    5   O3   C3   C3    120.001
   1    7    6   O3   C3   C3    120.001
   1    7   18   O3   C3   HC     60.003
   5    7    6   C3   C3   C3    119.999
   5    7   18   C3   C3   HC    179.974
   6    7   18   C3   C3   HC     59.998
   2    8   22   C3   C3   HC     90.004
   2    8   23   C3   C3   HC    179.974
   2    8   24   C3   C3   HC     90.001
  22    8   23   HC   C3   HC     90.000
  22    8   24   HC   C3   HC    179.974
  23    8   24   HC   C3   HC     89.995
   2    9   19   C3   C3   HC     89.996
   2    9   20   C3   C3   HC    179.974
   2    9   21   C3   C3   HC     89.999
  19    9   20   HC   C3   HC     90.000
  19    9   21   HC   C3   HC    179.974
  20    9   21   HC   C3   HC     90.005


TORSION ANGLES
  25    1    7    5      0.026
  25    1    7    6    179.974
  25    1    7   18    179.974
   4    2    3    5      0.026
   4    2    3   12    179.974
   4    2    3   13    179.974
   8    2    3    5    179.974
   8    2    3   12      0.026
   8    2    3   13      0.026
   9    2    3    5    179.974
   9    2    3   12      0.026
   9    2    3   13      0.026
   3    2    4    6      0.026
   3    2    4   10    179.974
   3    2    4   11    179.974
   8    2    4    6    179.974
   8    2    4   10      0.026
   8    2    4   11      0.026
   9    2    4    6    179.974
   9    2    4   10      0.026
   9    2    4   11      0.026
   3    2    8   22    179.974
   3    2    8   23      0.026
   3    2    8   24      0.026
   4    2    8   22      0.026
   4    2    8   23    179.974
   4    2    8   24    179.974
   9    2    8   22    179.974
   9    2    8   23      0.026
   9    2    8   24      0.026
   3    2    9   19    179.974
   3    2    9   20    179.974
   3    2    9   21      0.026
   4    2    9   19      0.026
   4    2    9   20      0.026
   4    2    9   21    179.974
   8    2    9   19      0.026
   8    2    9   20      0.026
   8    2    9   21    179.974
   2    3    5    7      0.026
   2    3    5   16    179.974
   2    3    5   17    179.974
  12    3    5    7    179.974
  12    3    5   16      0.026
  12    3    5   17      0.026
  13    3    5    7    179.974
  13    3    5   16      0.026
  13    3    5   17      0.026
   2    4    6    7      0.026
   2    4    6   14    179.974
   2    4    6   15    179.974
  10    4    6    7    179.974
  10    4    6   14      0.026
  10    4    6   15      0.026
  11    4    6    7    179.974
  11    4    6   14      0.026
  11    4    6   15      0.026
   3    5    7    1    179.974
   3    5    7    6      0.026
   3    5    7   18      0.026
  16    5    7    1      0.026
  16    5    7    6    179.974
  16    5    7   18    179.974
  17    5    7    1      0.026
  17    5    7    6    179.974
  17    5    7   18    179.974
   4    6    7    1    179.974
   4    6    7    5      0.026
   4    6    7   18    179.974
  14    6    7    1      0.026
  14    6    7    5    179.974
  14    6    7   18      0.026
  15    6    7    1      0.026
  15    6    7    5    179.974
  15    6    7   18      0.026