Mrv0541 02241212472D          

 11 11  0  0  0  0            999 V2000
    0.6602    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    2.6813    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
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025836

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1=CCC(CO)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,8-9,11H,3-4,6-7H2,1-2H3

> <INCHI_KEY>
CQRYMYGKLOLNOV-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.223872480621303

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[4-(propan-2-yl)cyclohex-3-en-1-yl]methanol

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.2087335759999993

> <ALOGPS_LOGS>
-2.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.74070136341297

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6000172236431665

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.55449999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4-isopropylcyclohex-3-en-1-yl)methanol

> <JCHEM_VEBER_RULE>
1

> <NAME>
p-Mentha-3-en-7-ol

$$$$