Mrv0541 02241210592D          

 10 11  0  0  0  0            999 V2000
    0.0683    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222    1.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    0.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -1.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336   -0.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0965    0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  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
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM029934

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(O)C2CCC(C2)C1=C

> <INCHI_IDENTIFIER>
InChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h7-8,10H,1,3-5H2,2H3

> <INCHI_KEY>
RZEAOYIZHBELOJ-UHFFFAOYSA-N

> <FORMULA>
C9H14O

> <MOLECULAR_WEIGHT>
138.2069

> <EXACT_MASS>
138.10446507

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.956817117338554

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol

> <ALOGPS_LOGP>
2.32

> <JCHEM_LOGP>
1.4002482316666667

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.154609300160455

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9815738921098162

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
40.702799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
exo-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol

> <CAS>
59300-40-2

$$$$