1,5-HEPTADIENE, 2,6-DIMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L8CD748BZB
EPA CompTox DTXSID6064458

Structure

InChI Key DONSTYDPUORSDN-UHFFFAOYSA-N
Smiles CC(C)=CCCC(C)=C
InChI
InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h7H,1,5-6H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16
Molecular Weight 124.13
AlogP 3.31
Number of Rotational Bond 3.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6709-39-3
NORMAN SUSDAT
FDA SRS L8CD748BZB
PubChem 81203
ChemSpider 73261.0
CONTENTS