Mrv1572004261601092D          

 14 15  0  0  1  0            999 V2000
    2.0104   -0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    1.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7729    1.5979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7729    0.1690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0104    0.8835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3604    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354    0.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604    2.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604   -0.5455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    1.5979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
  9 11  1  1  0  0  0
  7 12  1  1  0  0  0
  8 13  1  1  0  0  0
  9 14  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM029959

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]12C[C@]([H])(C(=C)[C@]([H])(O)C1)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1

> <INCHI_KEY>
LCYXQUJDODZYIJ-DJLDLDEBSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
17.883923996219412

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

> <ALOGPS_LOGP>
2.24

> <JCHEM_LOGP>
1.628784049666666

> <ALOGPS_LOGS>
-1.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.937417626307106

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5139735302532715

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.1653

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(-)-trans-Pinocarveol

> <CAS>
1674-08-4

$$$$