Mrv1652309272007352D          

 15 15  0  0  0  0            999 V2000
10006.833510006.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.548710006.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.833510007.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.408410007.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.694410008.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.122410007.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.408410004.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.694410004.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.122410004.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.407010006.9363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.692110006.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.692110005.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.407010005.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.122010005.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.122010006.5235    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  4  5  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13  7  2  0  0  0  0
 10  4  1  0  0  0  0
 10  6  1  1  0  0  0
 15  1  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB029732

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=C1CC[C@](C)(C=C)[C@H](C1)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m1/s1

> <INCHI_KEY>
BQSLMQNYHVFRDT-CABCVRRESA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.86855654921786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R)-1-ethenyl-1-methyl-2-(prop-1-en-2-yl)-4-(propan-2-ylidene)cyclohexane

> <ALOGPS_LOGP>
5.09

> <JCHEM_LOGP>
4.6353894833333324

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
69.03209999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.10e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R)-1-ethenyl-1-methyl-2-(prop-1-en-2-yl)-4-(propan-2-ylidene)cyclohexane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB029732

> <GENERIC_NAME>
1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-cyclohexane

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