6429324
  CDK     1203211124

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  6  1  0  0  0  0 
  6  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:187185

> <NAME>
2-Isopropyl-1,4-hexadiene

> <STAR>
2

> <IUPAC_NAME>
(E)-6-methyl-5-methylidenehept-2-ene

> <FORMULA>
C9H16

> <MASS>
124.227

> <MONOISOTOPIC_MASS>
124.12520

> <CHARGE>
0

> <SMILES>
C(C(C/C=C/C)=C)(C)C

> <INCHI>
InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+

> <INCHIKEY>
KKKHJDOOIQCWIL-AATRIKPKSA-N

$$$$