Mrv1652303192001303D          

 16 17  0  0  0  0            999 V2000
   -0.7831    2.4343   -1.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946   -0.5912   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265   -1.5095    1.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281   -0.9630   -1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0674   -2.0597   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    2.2440    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3611    1.5336    0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597    1.1465   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919   -1.6493   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437   -1.7960    0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5258    0.5375    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272    1.8834   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499    0.1825    1.1741 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0927   -0.8156    0.2916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9585   -0.8450    0.2202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0588   -0.8258    1.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
 15  4  1  6  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
 13  7  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000315

> <DATABASE_NAME>
CDB

> <SMILES>
C\C1=C\CC(C)(C)\C=C/C[C@@]2(C)O[C@@H]2CC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-/t13-,15-/m1/s1

> <INCHI_KEY>
QTGAEXCCAPTGLB-SGRRRNBRSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.356

> <EXACT_MASS>
220.182715393

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.70517225296979

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3Z,7Z,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

> <ALOGPS_LOGP>
5.03

> <JCHEM_LOGP>
3.9774975963333326

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.2267160324202

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
70.30900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.11e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3Z,7Z,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000315

> <GENERIC_NAME>
alpha-Humulene epoxide II

$$$$