(2E,6Z)-OCTA-2,6-DIENYL ACETATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key SEUIMDDDOLIIGD-ODYTWBPASA-N
Smiles O=C(OCC=CCCC=CC)C
InChI
InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-4,7-8H,5-6,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O2
Molecular Weight 168.12
AlogP 2.46
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85554-65-0
NORMAN SUSDAT
PubChem 20836240
CONTENTS