Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F8P3DHG73Z
EPA CompTox DTXSID8025046

Structure

InChI Key KZVBBTZJMSWGTK-UHFFFAOYSA-N
Smiles CCCCOCCOCCOCCCC
InChI
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H26O3
Molecular Weight 218.19
AlogP 2.64
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 27.69
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 112-73-2
NORMAN SUSDAT
FDA SRS F8P3DHG73Z
PubChem 8210
ChemSpider 13881964.0