Mrv0541 02241223372D          

 10 10  0  0  0  0            999 V2000
   -0.3565   -1.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -1.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    1.4431    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
  4  9  1  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
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM026281

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C1CCC=C(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3

> <INCHI_KEY>
JWQKMEKSFPNAIB-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.485604002895066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
3.2198126516666665

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
46.4803

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sylvestrine

$$$$