Mrv0541 02241217072D          

 15 16  0  0  0  0            999 V2000
    1.0710    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 14  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
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB021731

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3

> <INCHI_KEY>
FUCYIEXQVQJBKY-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.338738005542154

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene

> <ALOGPS_LOGP>
4.92

> <JCHEM_LOGP>
4.404689873

> <ALOGPS_LOGS>
-3.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
68.3318

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-isopropyl-1,6-dimethyl-2,3,4,4a,7,8-hexahydronaphthalene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB021731

> <GENERIC_NAME>
1(10),4-Cadinadiene

$$$$