1,5-HEXADIENE, 2,5-DIMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PHN34350EM
EPA CompTox DTXSID6060844

Structure

InChI Key DSAYAFZWRDYBQY-UHFFFAOYSA-N
Smiles CC(=C)CCC(=C)C
InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14
Molecular Weight 110.11
AlogP 2.92
Number of Rotational Bond 3.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 627-58-7
NORMAN SUSDAT
FDA SRS PHN34350EM
PubChem 12322
ChemSpider 11818.0
CONTENTS