Mrv1652309272007422D          

 15 15  0  0  0  0            999 V2000
 9999.629310000.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3439 9999.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.057110000.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7723 9999.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.485510000.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1987 9999.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.485510001.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.629310001.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7712 9998.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.200610000.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.486110000.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4861 9999.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2006 9998.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9151 9999.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.915110000.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12  9  1  0  0  0  0
  1 15  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB000449

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)=CCC\C(C)=C1\CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+

> <INCHI_KEY>
XBGUIVFBMBVUEG-CCEZHUSRSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.937897140633964

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

> <ALOGPS_LOGP>
5.88

> <JCHEM_LOGP>
4.777935431666666

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
71.08879999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.82e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(Z)-gamma-bisabolene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000449

> <GENERIC_NAME>
trans-gamma-Bisabolene

$$$$