3,6-OCTADIENAL, 3,7-DIMETHYL-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5069045

Structure

InChI Key OJLMARCQPSGYNE-UHFFFAOYSA-N
Smiles CC(C)=CCC=C(C)CC=O
InChI
InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 55722-59-3
NORMAN SUSDAT
CONTENTS