Mrv1652303202019022D          

 15 16  0  0  1  0            999 V2000
   25.0805  -21.4624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.3732  -21.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0839  -20.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7979  -21.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0770  -22.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6557  -21.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3732  -20.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7979  -20.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5120  -21.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7876  -22.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6557  -20.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5051  -22.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2192  -22.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6962  -22.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9579  -22.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  2 14  1  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000575

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC[C@]2(CC1)C(=C)CCCC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m0/s1

> <INCHI_KEY>
WLNGPDPILFYWKF-HNNXBMFYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.746551520882708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6S)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene

> <ALOGPS_LOGP>
6.03

> <JCHEM_LOGP>
4.532337415333334

> <ALOGPS_LOGS>
-5.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.37889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-β-chamigrene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000575

> <GENERIC_NAME>
beta-Chamigrene

$$$$