Mrv0541 02241213002D          

 10 11  0  0  0  0            999 V2000
   -2.5634    3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2779    3.3295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2779    2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5634    2.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8489    2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8489    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    2.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904    1.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045    2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  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
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  6  0  0  0
  4 10  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM025392

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1C=C[C@H]2C[C@@H]1C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7?,8-,9-/m0/s1

> <INCHI_KEY>
XJBOZKOSICCONT-NPPUSCPJSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.139770684514417

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene

> <ALOGPS_LOGP>
3.46

> <JCHEM_LOGP>
2.845319271

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
44.988899999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.76e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
gamma-Pinene

$$$$