Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CA4031G8P7
EPA CompTox DTXSID0061668

Structure

InChI Key WDMOXLRWVGEXJV-UHFFFAOYSA-N
Smiles CC(C)CCCCCCC=O
InChI
InChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O1
Molecular Weight 156.15
AlogP 3.18
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1321-89-7
NORMAN SUSDAT
FDA SRS CA4031G8P7
PubChem 14862
ChemSpider 14172.0