Mrv0541 02241212502D          

 16 17  0  0  0  0            999 V2000
    0.5598   -3.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546   -3.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546   -4.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -5.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743   -3.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888   -3.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888   -5.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -4.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -3.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -5.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888   -5.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177   -5.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371   -6.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743   -2.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
  1 15  1  0  0  0  0
  5 15  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026024

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C1=C/CC(C)(C)\C=C\CC2(C)OC2CC1

> <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+

> <INCHI_KEY>
QTGAEXCCAPTGLB-PIHCAMFYSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.3505

> <EXACT_MASS>
220.18271539

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
26.81812028430862

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3E,7E)-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>
70.309

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.11e-03 g/l

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

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2-Humulene epoxide

$$$$