Carvomenthanol (4-)
  Mrv1652303202019022D          

 11 11  0  0  1  0            999 V2000
    2.1615    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741    0.5231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9866    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2885    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2885   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741   -1.9520    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014586

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)[C@]1(O)CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1

> <INCHI_KEY>
WRYLYDPHFGVWKC-SNVBAGLBSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.704458168600958

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S)-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
2.3302049676666665

> <ALOGPS_LOGS>
-1.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.999288199495165

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6121113415408138

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.3079

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S)-1-isopropyl-4-methylcyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014586

> <GENERIC_NAME>
(S)-p-Menth-1-en-4-ol

$$$$