Mrv0541 02241215572D          

 17 19  0  0  0  0            999 V2000
    1.1666    2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561    0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456    2.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644   -1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477   -1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394   -2.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100   -1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -2.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011900

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1C2CC(CC2C2CCCC(O)C2)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3

> <INCHI_KEY>
BWVZAZPLUTUBKD-UHFFFAOYSA-N

> <FORMULA>
C16H28O

> <MOLECULAR_WEIGHT>
236.3929

> <EXACT_MASS>
236.214015518

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
29.504488519614814

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl}cyclohexan-1-ol

> <ALOGPS_LOGP>
4.47

> <JCHEM_LOGP>
3.709109350666667

> <ALOGPS_LOGS>
-5.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.30983395762099

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3510786269365784

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
71.2408

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.28e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isobornyl cyclohexanol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyclohexanol, 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-

> <CAS>
3407-42-9

> <SYNONYMS>
3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol; 3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol; 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol; 3-{5,5,6-trimethylbicyclo[2.2.1]heptan-2-yl}cyclohexan-1-ol

$$$$