Mrv0541 02241221072D          

 15 16  0  0  1  0            999 V2000
    1.6110   -0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -0.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7264   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -1.6320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4172   -1.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837    0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8421    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798   -0.2375    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB005922

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CC=C(C=C1)[C@]1(C)CCCC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1

> <INCHI_KEY>
SLKPBCXNFNIJSV-HNNXBMFYSA-N

> <FORMULA>
C15H22

> <MOLECULAR_WEIGHT>
202.3352

> <EXACT_MASS>
202.172150704

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.503259300195005

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

> <ALOGPS_LOGP>
6.06

> <JCHEM_LOGP>
5.044201119666666

> <ALOGPS_LOGS>
-5.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
66.18860000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.79e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cuparene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB005922

> <GENERIC_NAME>
Cuparene

$$$$