Mrv0541 02241216572D          

 11 11  0  0  0  0            999 V2000
   -0.0004   -1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7214   -0.0004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7214   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847   -0.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -0.0004    0.0000 C   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
  2  7  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
  5 10  1  1  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014925

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=C)[C@@H]1CCC(CO)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1

> <INCHI_KEY>
NDTYTMIUWGWIMO-JTQLQIEISA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.18009475006506

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

> <ALOGPS_LOGP>
2.50

> <JCHEM_LOGP>
1.9390414949999997

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.85657008950134

> <JCHEM_PKA_STRONGEST_BASIC>
-1.986736242852114

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.254999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.90e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014925

> <GENERIC_NAME>
(S)-p-Mentha-1,8-dien-7-ol

$$$$