Mrv1652309272007412D          

 16 17  0  0  0  0            999 V2000
 9998.934110001.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.218710001.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.649410001.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9341 9998.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.791210000.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.647410001.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.934110000.6192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.219610000.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2196 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9341 9998.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.361110000.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.646610000.2067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6466 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3611 9998.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0756 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.075610000.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  7  8  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
 11 16  2  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
 15 16  1  0  0  0  0
  7  1  1  1  0  0  0
 10  4  1  0  0  0  0
 16  5  1  0  0  0  0
 10 13  2  0  0  0  0
  7 12  1  0  0  0  0
 12  6  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB013710

> <DATABASE_NAME>
foodb

> <SMILES>
[H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C

> <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/t13-,15-/m0/s1

> <INCHI_KEY>
FUCYIEXQVQJBKY-ZFWWWQNUSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.338881669751167

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,8aR)-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>
0.0

> <JCHEM_REFRACTIVITY>
68.3318

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
delta-cadinene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013710

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

$$$$