Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20239890

Structure

InChI Key GIJRNBKPTAAZNP-UHFFFAOYSA-N
Smiles O=C1CCC(=C2CCCC2)C1
InChI
InChI=1S/C10H14O/c11-10-6-5-9(7-10)8-3-1-2-4-8/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.61
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 93919-09-6
NORMAN SUSDAT
PubChem 3022914
ChemSpider 2289287.0