Mrv1652303182021543D          

 15 17  0  0  0  0            999 V2000
    1.8942   -1.5794    2.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624   -1.6157   -2.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450   -1.1451    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427    1.8178    1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8627    1.7325   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990   -0.7685    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751   -0.0276   -1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014    0.6895   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    2.0213    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619   -0.8719    1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461    0.4758   -0.9635 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3460   -0.2529    0.9043 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0089   -0.7066   -0.5242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4160   -0.6570   -0.8616 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5492    1.1263    0.3290 C   0  0  1  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000473

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15+/m0/s1

> <INCHI_KEY>
HICYDYJTCDBHMZ-SFDCQRBFSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.841168782309087

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,7S,8S)-2,6,6,9-tetramethyltricyclo[5.4.0.0^{2,8}]undec-9-ene

> <ALOGPS_LOGP>
4.14

> <JCHEM_LOGP>
4.101158186333333

> <ALOGPS_LOGS>
-5.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.6944

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.62e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,7S,8S)-2,6,6,9-tetramethyltricyclo[5.4.0.0^{2,8}]undec-9-ene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000473

> <GENERIC_NAME>
alpha-Longipinene

$$$$