Mrv0541 02241221242D          

 15 16  0  0  0  0            999 V2000
    3.4771   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    0.8250    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
  3  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
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB009046

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)C1CCC(C)C2CCC(C)CC12

> <INCHI_IDENTIFIER>
InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3

> <INCHI_KEY>
FZZNNPQZDRVKLU-UHFFFAOYSA-N

> <FORMULA>
C15H28

> <MOLECULAR_WEIGHT>
208.3828

> <EXACT_MASS>
208.219100896

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.738220045399096

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,6-dimethyl-4-(propan-2-yl)-decahydronaphthalene

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
5.259506660333333

> <ALOGPS_LOGS>
-6.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
66.8984

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-isopropyl-1,6-dimethyl-decahydronaphthalene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB009046

> <GENERIC_NAME>
Cadinene

$$$$