Mrv0541 05061309072D          

 15 17  0  0  0  0            999 V2000
    2.5363   -1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7810    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3890    1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122   -1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1113   -0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3346   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135   -0.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329    0.4522    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  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB015294

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)C1CCC(C)C23CC=C(C)C2C13

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3

> <INCHI_KEY>
XUEHVOLRMXNRKQ-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.328032250433644

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]dec-3-ene

> <ALOGPS_LOGP>
3.88

> <JCHEM_LOGP>
4.0881301626666655

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
65.7679

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.84e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]dec-3-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015294

> <GENERIC_NAME>
alpha-Cubebene

$$$$