Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M9P6DXT6YX
EPA CompTox DTXSID90232212

Structure

InChI Key VHUGWUBIUBBUAF-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCCCC1
InChI
InChI=1S/C13H24O/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h1-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24O1
Molecular Weight 196.18
AlogP 4.25
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 832-10-0
NORMAN SUSDAT
FDA SRS M9P6DXT6YX
PubChem 79114
ChemSpider 71445.0