Mrv0541 02241216322D          

 10 10  0  0  0  0            999 V2000
    3.4768   -3.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   -3.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   -4.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -5.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913   -4.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913   -3.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -5.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913   -6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   -6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030632

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1=CCC(=C)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3

> <INCHI_KEY>
SCWPFSIZUZUCCE-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.489857425133778

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methylidene-1-(propan-2-yl)cyclohex-1-ene

> <ALOGPS_LOGP>
4.30

> <JCHEM_LOGP>
3.2198126516666665

> <ALOGPS_LOGS>
-2.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
46.48029999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-terpinene

> <JCHEM_VEBER_RULE>
1

> <NAME>
beta-Terpinene

> <CAS>
99-84-3

$$$$