Mrv0541 02241212472D          

 11 11  0  0  0  0            999 V2000
    1.6849    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704   -1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    0.9134    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  2  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026177

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC(C=C1O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6,8-9,11H,1,4-5H2,2-3H3

> <INCHI_KEY>
HAFJUULUJCSUEI-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.141734021127917

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.5146698473333333

> <ALOGPS_LOGS>
-1.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.592601451796455

> <JCHEM_PKA_STRONGEST_BASIC>
-4.726596124984231

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.7162

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-methyl-3-(prop-1-en-2-yl)cyclohex-1-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
cis-2,8-Menthadien-2-ol

$$$$