Mrv0541 02241221402D          

 11 11  0  0  0  0            999 V2000
    0.0000   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026466

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CC=C(CO)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-5,8,10-11H,6-7H2,1-2H3

> <INCHI_KEY>
QPHLFYOPLZARDQ-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.126614424720167

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[4-(propan-2-yl)cyclohexa-1,5-dien-1-yl]methanol

> <ALOGPS_LOGP>
2.67

> <JCHEM_LOGP>
1.9247656493333336

> <ALOGPS_LOGS>
-2.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.77565062413572

> <JCHEM_PKA_STRONGEST_BASIC>
-2.0221304170030336

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
49.594100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4-isopropylcyclohexa-1,5-dien-1-yl)methanol

> <JCHEM_VEBER_RULE>
1

> <NAME>
p-Mentha-1,5-dien-7-ol

$$$$