Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2873H3P924
EPA CompTox DTXSID1044566

Structure

InChI Key VNWOJVJCRAHBJJ-UHFFFAOYSA-N
Smiles CCCCCC1CCCC1=O
InChI
InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O1
Molecular Weight 154.14
AlogP 2.94
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4819-67-4
NORMAN SUSDAT
FDA SRS 2873H3P924
PubChem 20959
ChemSpider 19716.0