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1,3,3-trimethylnorbornan-2-ol
1,3,3-trimethylnorbornan-2-ol ID: AN-19772
CAS:1632-73-1
Supplier:AN PharmaTech Co Ltd

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SMILES:OC1C2(CC(C1(C)C)CC2)C	15406
FORMULA: C10H18O
MASS: 154.2493
EXACT MASS: 154.1357652
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    2.7979     0.0000 
   C   3    3.6954     1.0000     0.0000 
   C   4    1.8478     2.2360     2.7228     0.0000 
   C   5    1.0000     2.0000     2.7979     1.0001     0.0000 
   C   6    4.1967     2.0063     1.2281     2.7229     3.2043     0.0000 
   C   7    4.0089     1.9829     2.3344     4.1118     3.5722     3.5588 
   C   8    4.6240     2.1010     1.9829     4.3362     4.0089     3.1033 
   C   9    2.0000     1.0000     1.9999     2.1414     1.4736     2.9227 
   C  10    2.7505     2.9327     3.1367     1.0000     1.9938     2.7176 
   C  11    1.8846     3.2037     3.7219     1.0000     1.5208     3.6307 
   H  12    3.2308     0.4364     0.6199     2.5437     2.4091     1.7668 
   H  13    0.9539     1.8534     2.7817     1.5906     0.6200     3.4122 
   H  14    4.8089     2.4861     1.5718     3.3362     3.8194     0.6200 
   H  15    4.1062     2.3138     1.7252     2.4556     3.1074     0.6199 
   H  16    3.6643     2.1032     2.6788     4.0367     3.3692     3.9019 
   H  17    4.5306     2.6011     2.8874     4.7255     4.1557     4.0976 
   H  18    5.0777     2.6822     2.6011     4.9165     4.5306     3.7016 
   H  19    5.1018     2.4344     2.0516     4.6279     4.4139     3.0124 
   H  20    1.6219     1.1766     2.0938     1.5296     0.8957     2.7801 
   H  21    1.6219     1.6200     2.6200     2.3094     1.4290     3.5139 
   H  22    2.4775     1.1766     2.0939     2.7569     2.0760     3.1819 
   H  23    3.0244     2.5942     2.6392     1.1766     2.1340     2.1105 
   H  24    3.3381     3.4406     3.5139     1.6199     2.6124     2.8934 
   H  25    2.5986     3.3528     3.6719     1.1766     2.0411     3.3295 
   H  26    2.4827     3.3889     3.7511     1.1766     1.9804     3.4548 
   H  27    2.1543     3.8120     4.3416     1.6200     2.0326     4.2146 
   H  28    1.3069     3.1322     3.7952     1.1766     1.2135     3.8984 
   H  29    0.6200     3.3508     4.2043     2.0244     1.4158     4.5897 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.1010     2.6261     0.0000 
   C  10    4.8982     4.9713     3.0598     0.0000 
   C  11    5.0047     5.3027     2.9451     1.1756     0.0000 
   H  12    1.9165     1.8301     1.4130     3.1414     3.5325     0.0000 
   H  13    3.1338     3.6886     1.0641     2.5906     2.1192     2.2888 
   H  14    3.8031     3.1994     3.4482     3.2671     4.2277     2.1770 
   H  15    4.0472     3.6721     3.1194     2.2554     3.2741     2.1708 
   H  16    0.6200     1.6185     1.9159     4.9010     4.8602     2.1634 
   H  17    0.6200     1.1993     2.6822     5.5182     5.6072     2.5142 
   H  18    1.1534     0.6200     3.1020     5.5782     5.8702     2.4379 
   H  19    1.6185     0.6200     3.1055     5.1662     5.6167     2.0846 
   H  20    2.6901     3.1175     0.6200     2.4724     2.3290     1.6089 
   H  21    2.3912     3.0725     0.6200     3.2922     2.9483     2.0300 
   H  22    1.5365     2.2007     0.6200     3.6579     3.5626     1.4743 
   H  23    4.5770     4.5460     2.9145     0.6200     1.7163     2.7333 
   H  24    5.4213     5.4206     3.6508     0.6200     1.6196     3.6027 
   H  25    5.2732     5.4342     3.3165     0.6201     0.7662     3.6104 
   H  26    5.2878     5.4799     3.3012     0.7662     0.6200     3.6630 
   H  27    5.5766     5.9075     3.4947     1.6196     0.6200     4.1482 
   H  28    4.7856     5.1939     2.6867     1.7163     0.6200     3.5083 
   H  29    4.6284     5.2299     2.6038     2.7829     1.7326     3.7773 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    4.0066     0.0000 
   H  15    3.4212     1.0298     0.0000 
   H  16    2.8602     4.2164     4.3342     0.0000 
   H  17    3.6888     4.2909     4.6113     0.8958     0.0000 
   H  18    4.1639     3.7590     4.2796     1.7273     1.0000     0.0000 
   H  19    4.1531     2.9876     3.6169     2.2378     1.7391     0.8575 
   H  20    0.6881     3.3595     2.8554     2.5349     3.2840     3.6349 
   H  21    0.8419     4.0540     3.6673     2.0514     2.9093     3.4832 
   H  22    1.6000     3.6418     3.4752     1.2977     2.0911     2.6078 
   H  23    2.6665     2.6498     1.6355     4.6513     5.1944     5.1619 
   H  24    3.2106     3.3758     2.3466     5.4602     6.0406     6.0355 
   H  25    2.6611     3.8854     2.8754     5.2129     5.8897     6.0298 
   H  26    2.5992     4.0189     3.0156     5.2073     5.9020     6.0703 
   H  27    2.5906     4.8019     3.8251     5.4008     6.1720     6.4684 
   H  28    1.7306     4.5127     3.6213     4.5713     5.3682     5.7305 
   H  29    1.5435     5.2087     4.4283     4.2822     5.1503     5.6923 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.5402     0.0000 
   H  21    3.5991     0.8769     0.0000 
   H  22    2.7429     1.2401     0.8769     0.0000 
   H  23    4.6886     2.3869     3.2547     3.4729     0.0000 
   H  24    5.5644     3.0752     3.9059     4.2389     0.8768     0.0000 
   H  25    5.6715     2.7015     3.4429     3.9331     1.2401     0.8768 
   H  26    5.7339     2.6827     3.3969     3.9203     1.3832     1.0474 
   H  27    6.2315     2.8881     3.4321     4.1052     2.2177     1.9044 
   H  28    5.5664     2.1026     2.5719     3.2840     2.1787     2.2176 
   H  29    5.6956     2.1783     2.2419     3.0958     3.1668     3.3181 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    0.1724     0.0000 
   H  27    1.0474     0.8768     0.0000 
   H  28    1.3831     1.2400     0.8768     0.0000 
   H  29    2.4959     2.3524     1.8240     1.1130     0.0000 



ATOMIC CHARGES
   O   1   -0.3907089716
   C   2   -0.0052973583
   C   3   -0.0329287510
   C   4   -0.0055608155
   C   5    0.0659521274
   C   6   -0.0418421145
   C   7   -0.0449777728
   C   8   -0.0490495709
   C   9   -0.0571816203
   C  10   -0.0571894765
   C  11   -0.0571894765
   H  12    0.0306933274
   H  13    0.0603984309
   H  14    0.0274157756
   H  15    0.0274157756
   H  16    0.0271408808
   H  17    0.0271408808
   H  18    0.0268296955
   H  19    0.0268296955
   H  20    0.0235873250
   H  21    0.0235873250
   H  22    0.0235873250
   H  23    0.0235872716
   H  24    0.0235872716
   H  25    0.0235872716
   H  26    0.0235872716
   H  27    0.0235872716
   H  28    0.0235872716
   H  29    0.2098237340


BOND ANGLES
   5    1   29   C3   O3   HO    120.002
   5    2    6   C3   C3   C3    106.224
   5    2    7   C3   C3   C3    127.500
   5    2    9   C3   C3   C3     45.000
   6    2    7   C3   C3   C3    126.276
   6    2    9   C3   C3   C3    151.223
   7    2    9   C3   C3   C3     82.500
   4    3    6   C3   C3   C3     76.970
   4    3    8   C3   C3   C3    133.677
   4    3   12   C3   C3   HC     66.842
   6    3    8   C3   C3   C3    149.353
   6    3   12   C3   C3   HC    143.811
   8    3   12   C3   C3   HC     66.836
   3    4    5   C3   C3   C3     83.826
   3    4   10   C3   C3   C3    105.177
   3    4   11   C3   C3   C3    177.178
   5    4   10   C3   C3   C3    170.997
   5    4   11   C3   C3   C3     98.997
  10    4   11   C3   C3   C3     72.001
   1    5    2   O3   C3   C3    135.000
   1    5    4   O3   C3   C3    135.003
   1    5   13   O3   C3   HC     67.503
   2    5    4   C3   C3   C3     89.997
   2    5   13   C3   C3   HC     67.497
   4    5   13   C3   C3   HC    157.494
   2    6    3   C3   C3   C3     23.077
   2    6   14   C3   C3   HC    135.384
   2    6   15   C3   C3   HC    112.302
   3    6   14   C3   C3   HC    112.307
   3    6   15   C3   C3   HC    135.379
  14    6   15   HC   C3   HC    112.314
   2    7    8   C3   C3   C3     82.500
   2    7   16   C3   C3   HC     92.495
   2    7   17   C3   C3   HC    174.998
   8    7   16   C3   C3   HC    174.995
   8    7   17   C3   C3   HC     92.497
  16    7   17   HC   C3   HC     92.508
   3    8    7   C3   C3   C3     97.500
   3    8   18   C3   C3   HC    174.998
   3    8   19   C3   C3   HC     87.497
   7    8   18   C3   C3   HC     87.503
   7    8   19   C3   C3   HC    175.004
  18    8   19   HC   C3   HC     87.501
   2    9   20   C3   C3   HC     89.997
   2    9   21   C3   C3   HC    179.974
   2    9   22   C3   C3   HC     90.003
  20    9   21   HC   C3   HC     90.000
  20    9   22   HC   C3   HC    179.974
  21    9   22   HC   C3   HC     90.000
   4   10   23   C3   C3   HC     90.003
   4   10   24   C3   C3   HC    179.974
   4   10   25   C3   C3   HC     90.003
  23   10   24   HC   C3   HC     90.000
  23   10   25   HC   C3   HC    179.974
  24   10   25   HC   C3   HC     89.994
   4   11   26   C3   C3   HC     90.000
   4   11   27   C3   C3   HC    179.974
   4   11   28   C3   C3   HC     90.000
  26   11   27   HC   C3   HC     90.000
  26   11   28   HC   C3   HC    179.974
  27   11   28   HC   C3   HC     90.000


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


CHIRAL ATOMS
  17    7    8   19      0.026
  17    7    8   19      0.026
  17    7    8   19      0.026