Mrv0541 02241212472D          

 10 10  0  0  0  0            999 V2000
   -0.9134    1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    2.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  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  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB011212

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=C1CCC=C(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3

> <INCHI_KEY>
WPOQYXKDKVBMSB-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.63745838669245

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-5-(propan-2-ylidene)cyclohex-1-ene

> <ALOGPS_LOGP>
3.83

> <JCHEM_LOGP>
3.118221156666667

> <ALOGPS_LOGS>
-1.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
47.286199999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-5-(propan-2-ylidene)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB011212

> <GENERIC_NAME>
5-Isosylveterpinolene

$$$$