Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40915563

Structure

InChI Key OYQZJQGITSAUBC-UHFFFAOYSA-N
Smiles O=C(OC1CCC(C=C)CC1)C
InChI
InChI=1/C10H16O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O2
Molecular Weight 168.12
AlogP 2.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94386-62-6
NORMAN SUSDAT
PubChem 216426