Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2072627

Structure

InChI Key SWBGVIRRFYDZBQ-UHFFFAOYSA-N
Smiles CCCCCCCCCCOCC=O
InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h10H,2-9,11-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O2
Molecular Weight 200.18
AlogP 3.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 72894-07-6
NORMAN SUSDAT
PubChem 166341
ChemSpider 145618.0