Mrv1652303192001533D          

 16 17  0  0  0  0            999 V2000
    3.8940   -0.7818    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -1.4309    1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462   -2.5522   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524    3.2507    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884   -2.1097   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.0405   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4799   -0.7312   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666    1.2569    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036   -2.4610   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.1865    0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646   -0.4557   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895   -0.0766    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    0.9623   -0.7236 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2609   -1.5621   -0.0837 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0744    1.9605    0.0803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6567    0.9590    0.5867 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
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  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 13  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>
CDB000720

> <DATABASE_NAME>
CDB

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

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

> <INCHI_KEY>
RKQDKXOBRXTSFS-KDYBSOQRSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.356

> <EXACT_MASS>
220.182715393

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.885952084579657

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4Z,7Z,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene

> <ALOGPS_LOGP>
5.02

> <JCHEM_LOGP>
3.9774975963333326

> <ALOGPS_LOGS>
-4.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.224674113829658

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
70.30900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.79e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4Z,7Z,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000720

> <GENERIC_NAME>
Humulene oxide

$$$$