Mrv0541 02241218242D          

 17 19  0  0  0  0            999 V2000
   -1.9010    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733    1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    2.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680    1.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5255   -0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688   -0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255   -1.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0403   -2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8494   -1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030248

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCCC2CC3(CC12C)C(=C)COC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3

> <INCHI_KEY>
OVXAYHNZXBOVPV-UHFFFAOYSA-N

> <FORMULA>
C15H22O2

> <MOLECULAR_WEIGHT>
234.334

> <EXACT_MASS>
234.161979948

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
26.740766831977428

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3a,4-dimethyl-4'-methylidene-octahydrospiro[indene-2,3'-oxolane]-2'-one

> <ALOGPS_LOGP>
3.61

> <JCHEM_LOGP>
3.355759895

> <ALOGPS_LOGS>
-4.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.173025305289968

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
66.4762

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.40e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,7a-dimethyl-4'-methylidene-hexahydro-1H-spiro[indene-2,3'-oxolane]-2'-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
Fukinanolide

> <CAS>
19906-72-0

$$$$