Mrv0541 05061310152D          

 15 17  0  0  0  0            999 V2000
   -0.7110    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -0.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB017384

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)C1CCC2(C)C3CCC(=C)C3C12

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

> <INCHI_KEY>
YIRAHEODBQONHI-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.855567860985254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[5.3.0.0²,⁶]decane

> <ALOGPS_LOGP>
3.47

> <JCHEM_LOGP>
4.1460638329999995

> <ALOGPS_LOGS>
-4.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
64.6954

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.41e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-isopropyl-1-methyl-5-methylidenetricyclo[5.3.0.0²,⁶]decane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB017384

> <GENERIC_NAME>
beta-Bourbonene

$$$$