Mrv0541 02241223362D          

 10 11  0  0  0  0            999 V2000
   -0.3583    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0678   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0678    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026244

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CC2C(C=C1)C2(C)C

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

> <INCHI_KEY>
LGNSZMLHOYDATP-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.120284197719275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,7,7-trimethylbicyclo[4.1.0]hept-2-ene

> <ALOGPS_LOGP>
3.46

> <JCHEM_LOGP>
2.845319271

> <ALOGPS_LOGS>
-4.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
44.9889

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.95e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,7,7-trimethylbicyclo[4.1.0]hept-2-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
delta-4-Carene

$$$$