Mrv0541 02241208592D          

 15 14  0  0  0  0            999 V2000
    1.7890   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  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  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014893

> <DATABASE_NAME>
foodb

> <SMILES>
C\C=C(/C)\C=C\C=C(\C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-

> <INCHI_KEY>
JEKGHHPMLRLCIW-VBVMRKNNSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.06321657309732

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraene

> <ALOGPS_LOGP>
5.75

> <JCHEM_LOGP>
5.080947071000001

> <ALOGPS_LOGS>
-3.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
74.3266

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014893

> <GENERIC_NAME>
(2E,4E,6E)-2,4,6,10-Farnesatetraene

$$$$