Mrv1533004241510582D          

 14 15  0  0  0  0            999 V2000
    4.5956    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    2.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    0.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267   -0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    0.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025434

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=O)OC1CC2CC(C1=C)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3

> <INCHI_KEY>
UDBAGFUFASPUFS-UHFFFAOYSA-N

> <FORMULA>
C12H18O2

> <MOLECULAR_WEIGHT>
194.274

> <EXACT_MASS>
194.13067982

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
22.01450000363711

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-yl acetate

> <ALOGPS_LOGP>
3.13

> <JCHEM_LOGP>
2.06990946

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.013873996520662

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
54.31679999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-yl acetate

> <JCHEM_VEBER_RULE>
1

> <NAME>
Pinocarvyl acetate

$$$$