Mrv0541 02241217442D          

 11 11  0  0  1  0            999 V2000
    0.2598    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4547    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -0.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9743    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6887    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  5  9  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB003930

> <DATABASE_NAME>
foodb

> <SMILES>
C[C@@H]1CC[C@H](C[C@H]1O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1

> <INCHI_KEY>
KRCZYMFUWVJCLI-OPRDCNLKSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.99882465297455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol

> <ALOGPS_LOGP>
2.70

> <JCHEM_LOGP>
2.316627336

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.994600424312566

> <JCHEM_PKA_STRONGEST_BASIC>
-1.051561774405684

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
47.22279999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-dihydrocarveol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003930

> <GENERIC_NAME>
Dihydroisocarveol

$$$$