Mrv0541 02241219452D          

 11 12  0  0  0  0            999 V2000
    1.8611    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    2.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    1.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630    3.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014958

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)C12CC1C(C)(O)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3

> <INCHI_KEY>
KXSDPILWMGFJMM-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.661678417923863

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol

> <ALOGPS_LOGP>
2.12

> <JCHEM_LOGP>
1.8920337026666663

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.131154204711283

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9918331508592838

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.554399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sabinene hydrate

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014958

> <GENERIC_NAME>
4-Thujanol

$$$$