Mrv0541 02241221072D          

 11 11  0  0  1  0            999 V2000
    0.1842   -1.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.9327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.7173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB005390

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)[C@H]1CC[C@@](C)(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m1/s1

> <INCHI_KEY>
IZXYHAXVIZHGJV-ZJUUUORDSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.759281297853278

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4R)-1-methyl-4-(propan-2-yl)cyclohex-2-en-1-ol

> <ALOGPS_LOGP>
2.71

> <JCHEM_LOGP>
2.3738627923333335

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.171179768374394

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4117259693130402

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.5745

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.42e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R)-4-isopropyl-1-methylcyclohex-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB005390

> <GENERIC_NAME>
trans-p-Menth-2-en-1-ol

$$$$