Mrv1652309272007402D          

 17 19  0  0  0  0            999 V2000
 9998.906510001.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.757510000.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7427 9999.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9065 9998.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1924 9998.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6205 9998.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0312 9999.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.906510001.0466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.192010000.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1920 9999.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9065 9999.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6210 9999.8090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.330610000.2252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.616210000.6377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.616210001.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.045110001.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.045110000.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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
  8  1  1  1  0  0  0
 12  7  1  6  0  0  0
 11  4  1  6  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 15  1  6  0  0  0
 13  3  1  1  0  0  0
 17  2  1  0  0  0  0
  8 14  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000109

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@]12[C@@H](CC[C@@H](C)[C@]11CC=C(C)[C@]21[H])C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1

> <INCHI_KEY>
XUEHVOLRMXNRKQ-KHMAMNHCSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.162179830268414

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,5S,6R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^{1,5}]dec-3-ene

> <ALOGPS_LOGP>
3.88

> <JCHEM_LOGP>
4.0881301626666655

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.76790000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.84e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S,6R,7S,10R)-7-isopropyl-4,10-dimethyltricyclo[4.4.0.0^{1,5}]dec-3-ene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000109

> <GENERIC_NAME>
alpha-Cubebene

$$$$