Mrv0541 02241220482D          

 15 17  0  0  1  0            999 V2000
    0.3025   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497   -0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827   -1.5440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8685   -0.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4319   -0.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -1.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -1.7077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4424   -1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455   -2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165   -2.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987   -1.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095   -2.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  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
  5 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
  9 13  1  6  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB004095

> <DATABASE_NAME>
foodb

> <SMILES>
CC1(C)C=C[C@@]23CCC[C@@](C)(CC[C@@H]12)C3

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14-,15+/m0/s1

> <INCHI_KEY>
MKZIRHIVARSBHI-AEGPPILISA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.719111417551176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5S,8S)-4,4,8-trimethyltricyclo[6.3.1.0¹,⁵]dodec-2-ene

> <ALOGPS_LOGP>
5.12

> <JCHEM_LOGP>
4.315393603333334

> <ALOGPS_LOGS>
-5.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
65.9399

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.15e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5S,8S)-4,4,8-trimethyltricyclo[6.3.1.0¹,⁵]dodec-2-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB004095

> <GENERIC_NAME>
Clovene

$$$$