Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4047414

Structure

InChI Key CVYBRMSQMLJGOI-UHFFFAOYSA-N
Smiles C/C=C/C=CCOC(=O)C(C)C
InChI
InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O2
Molecular Weight 168.12
AlogP 2.32
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 16491-24-0
NORMAN SUSDAT
PubChem 5383810
ChemSpider 4531247.0