Mrv1652303192001383D          

 15 15  0  0  0  0            999 V2000
   -5.1873    0.7492    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2456   -1.5550    1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    0.1514    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810    1.5727   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035   -1.1695   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676   -0.1792   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400   -0.8533   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -0.6021    0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    1.1804   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281   -0.6084    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099    1.2496   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518   -0.3234    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297    0.2060    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    0.2566   -0.7260 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5235    0.2843   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 14  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  3  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000464

> <DATABASE_NAME>
CDB

> <SMILES>
C[C@H](CCC=C(C)C)C1=CC=C(C)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1

> <INCHI_KEY>
NGIVKZGKEPRIGG-CQSZACIVSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.407833193366674

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

> <ALOGPS_LOGP>
6.07

> <JCHEM_LOGP>
4.821593256333333

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
71.3554

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gamma-curcumene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000464

> <GENERIC_NAME>
Gamma-Curcumene

$$$$