Mrv1652309072201252D          

 15 15  0  0  0  0            999 V2000
   -0.8263   -0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244   -0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    0.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168    1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7171   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151   -1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3463   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -0.9251    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0239772

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C1=C\CCC(=C)\C=C\C(C)(C)CCC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7-

> <INCHI_KEY>
FNXUOGPQAOCFKU-RYKBTYGJSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.150192587931958

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene

> <JCHEM_LOGP>
4.936212775

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
70.476

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1Z,6E)-gamma-humulene

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0239772

> <GENERIC_NAME>
(1z,6e)-gamma-humulene

$$$$