Mrv1652309272007462D          

 11 11  0  0  0  0            999 V2000
10001.128310000.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.843010000.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.128310001.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1769 9999.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7186 9998.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.701310000.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.986810000.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9868 9999.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7013 9998.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.4158 9999.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.415810000.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8  5  1  0  0  0  0
  8  4  1  0  0  0  0
 11  1  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB015965

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=C1CCC(C)(O)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3

> <INCHI_KEY>
NNRLDGQZIVUQTE-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.926747895528237

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol

> <ALOGPS_LOGP>
2.68

> <JCHEM_LOGP>
2.1306396829999996

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.03576308027019

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0335572286898191

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.195299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015965

> <GENERIC_NAME>
gamma-Terpineol

$$$$