Mrv0541 02241212472D          

 11 11  0  0  0  0            999 V2000
    0.3295   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295   -1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585   -1.9152    0.0000 O   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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025398

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC(C)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3

> <INCHI_KEY>
CCJSKHHLZKFPGH-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.85247180239178

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-methyl-6-(propan-2-yl)cyclohex-1-en-1-ol

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
2.862315658333333

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.628821564811574

> <JCHEM_PKA_STRONGEST_BASIC>
-4.710753447551416

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.9387

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-isopropyl-3-methylcyclohex-1-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
trans-p-Mentha-2-en-ol

> <SYNONYMS>
cis-p-Menth-2-enol

$$$$