Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8E4C80798Y
EPA CompTox DTXSID7052072

Structure

InChI Key AKMSQWLDTSOVME-UHFFFAOYSA-N
Smiles C=CCCCCCCCC=O
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O1
Molecular Weight 154.14
AlogP 3.1
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 39770-05-3
NORMAN SUSDAT
FDA SRS 8E4C80798Y
PubChem 162392
ChemSpider 142585.0