Mrv0541 02241218402D          

 11 11  0  0  0  0            999 V2000
   -4.5670   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2814   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2814   -2.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5670   -2.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -2.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5670   -3.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -3.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2814   -3.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9795   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1545   -0.0810    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB015970

> <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/h9,11H,1,4-7H2,2-3H3

> <INCHI_KEY>
RUJPNZNXGCHGID-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.80209736960398

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
2.2322311779999997

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.002116372471004

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0482742986811822

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
47.389399999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.90e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-terpineol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015970

> <GENERIC_NAME>
beta-Terpineol

$$$$