Mrv1652309272007322D          

 10 10  0  0  0  0            999 V2000
    0.6919    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.9683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7370    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354    2.9683    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB006459

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=C)[C@@H]1CCC=C(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1

> <INCHI_KEY>
JWQKMEKSFPNAIB-SNVBAGLBSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.239218708718298

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
3.2198126516666665

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
46.4803

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB006459

> <GENERIC_NAME>
(+)-m-Mentha-1(6),8-diene

$$$$