Mrv0541 05061308502D          

 15 17  0  0  0  0            999 V2000
   -0.4932    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7197    3.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    1.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039    2.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5661    2.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921    0.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468    1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977    1.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    1.7845    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
 10  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  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  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 14  4  1  0  0  0  0
 14 12  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>
FDB014815

> <DATABASE_NAME>
foodb

> <SMILES>
CC1CCC2CC3=C(C)CCC13C2(C)C

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

> <INCHI_KEY>
RTBLDXVIGWSICW-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.630259034459108

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undec-4-ene

> <ALOGPS_LOGP>
5.51

> <JCHEM_LOGP>
4.057500361666667

> <ALOGPS_LOGS>
-4.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
65.42779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undec-4-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014815

> <GENERIC_NAME>
alpha-Cyperene

$$$$