Mrv0541 02241212502D          

 12 13  0  0  0  0            999 V2000
   -0.5009    0.7366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2154    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2154   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5009   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136    0.3241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5009   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   -2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2154   -2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280   -0.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136    1.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  2  0  0  0  0
  1 11  1  6  0  0  0
  1 12  1  6  0  0  0
  6 12  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM026039

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)=C1CC[C@@]2(C)O[C@@H]2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10?/m1/s1

> <INCHI_KEY>
AKASWINDKIEEBO-YHMJZVADSA-N

> <FORMULA>
C10H14O2

> <MOLECULAR_WEIGHT>
166.217

> <EXACT_MASS>
166.099379692

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
18.149624408208076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,6R)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one

> <ALOGPS_LOGP>
1.61

> <JCHEM_LOGP>
2.0658088933333336

> <ALOGPS_LOGS>
-1.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.2379152871578105

> <JCHEM_POLAR_SURFACE_AREA>
29.6

> <JCHEM_REFRACTIVITY>
46.5626

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.95e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,6R)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
(-)-Piperitenone oxide

$$$$