NONA-3,6-DIENYL ACETATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20868407

Structure

InChI Key CMNKZQXSZSHGNF-UHFFFAOYSA-N
Smiles O=C(OCCC=CCC=CCC)C
InChI
InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O2
Molecular Weight 182.13
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 76649-26-8
NORMAN SUSDAT
PubChem 166486
CONTENTS