longifolene
  Mrv1572001071617122D          

 15 17  0  0  0  0            999 V2000
    1.3621    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    1.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3598    0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200   -0.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238    0.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594    0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017    2.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1912    2.8447    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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB005805

> <DATABASE_NAME>
foodb

> <SMILES>
CC12CCCC(C)(C)C3C(CCC13)C2=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

> <INCHI_KEY>
PDSNLYSELAIEBU-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.417236290907

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane

> <ALOGPS_LOGP>
4.65

> <JCHEM_LOGP>
4.159091856666667

> <ALOGPS_LOGS>
-5.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
64.6219

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
longifolene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB005805

> <GENERIC_NAME>
Longifolene

$$$$