Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5051783

Structure

InChI Key JTCIUOKKVACNCK-BJMVGYQFSA-N
Smiles CCCCCCOC(=O)C(/C)=C/C
InChI
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.15
AlogP 3.08
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 16930-96-4
NORMAN SUSDAT
PubChem 637523
ChemSpider 553129.0