Mrv0541 05061309182D          

 15 17  0  0  0  0            999 V2000
    3.1443   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894    0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378    0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271    0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191   -1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190    1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491    1.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013   -1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7294   -1.6818    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
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030394

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CC23CCC1C2(C)CCCC3=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h12H,1,5-10H2,2-4H3

> <INCHI_KEY>
BUDWHMNUSAOQBI-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.511616342097057

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,8,8-trimethyl-2-methylidenetricyclo[5.2.2.0¹,⁶]undecane

> <ALOGPS_LOGP>
4.68

> <JCHEM_LOGP>
4.172119880333334

> <ALOGPS_LOGS>
-5.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
64.54839999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,8,8-trimethyl-2-methylidenetricyclo[5.2.2.0¹,⁶]undecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
beta-Neoclovene

> <CAS>
56684-96-9

$$$$