Mrv0541 05061308182D          

 11 12  0  0  0  0            999 V2000
    0.9566    2.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067    0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684    1.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5557    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185    0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8025   -0.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029132

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CCC(O)(CC1)C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8-4-6-10(11,7-5-8)9-2-3-9/h4,9,11H,2-3,5-7H2,1H3

> <INCHI_KEY>
FTEUSHRMTWTVTP-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.264077966190946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-cyclopropyl-4-methylcyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
1.8664790650000003

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.763477805815857

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7152548077361444

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
46.50569999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-cyclopropyl-4-methylcyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(S)-9,10-Cyclo-p-menth-1-en-4-ol

> <CAS>
83133-20-4

$$$$