Marvin  03291016472D          

 10 10  0  0  0  0            999 V2000
    8.6388   -3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678   -4.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678   -3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6388   -4.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3534   -3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3534   -2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6388   -6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3534   -5.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678   -6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3534   -5.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  4  1  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  1  0  0  0  0
 10  8  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:59156

> <NAME>
4-isopropyl-1-methylenecyclohexane

> <DEFINITION>
A monoterpene consisting of methylenecyclohexane having an isopropyl substituent at the 4-position.

> <STAR>
3

> <SYNONYM>
4-methylene-1-(propan-2-yl)cyclohexane; 1-isopropyl-4-methylenecyclohexane; 1-isopropyl-4-methylenecyclohexane; 1-(1-methylethyl)-4-methylenecyclohexane; 1(7)-P-menthene

> <IUPAC_NAME>
1-methylidene-4-(propan-2-yl)cyclohexane

> <FORMULA>
C10H18

> <MASS>
138.24990

> <MONOISOTOPIC_MASS>
138.14085

> <CHARGE>
0

> <SMILES>
CC(C)C1CCC(=C)CC1

> <INCHI>
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h8,10H,3-7H2,1-2H3

> <INCHIKEY>
CEWQMRMCIKPUIK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1920805

> <CAS_REGISTRY_NUMBER>
1124-24-9

> <GMELIN_REGISTRY_NUMBER>
405792

> <NIST_CHEMISTRY_WEBBOOK>
1124-24-9

> <PUBMED_CITATION>
16780354

$$$$