Mrv0541 02241212462D          

 11 11  0  0  0  0            999 V2000
   -0.0294    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294    0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439    2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5540    3.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    3.1762    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  2  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB006121

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=C)C1CCC(C)(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3

> <INCHI_KEY>
MKPMHJQMNACGDI-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.13031381217676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

> <ALOGPS_LOGP>
2.58

> <JCHEM_LOGP>
2.026216981333333

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.247779344243927

> <JCHEM_PKA_STRONGEST_BASIC>
-1.378221314827706

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.352

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB006121

> <GENERIC_NAME>
p-Menth-trans-2,8-dien-1-ol

$$$$