Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90221848

Structure

InChI Key ARSLOAKOWGOSEX-UHFFFAOYSA-N
Smiles CCCCCCCCC(=O)OCCCCCCC
InChI
InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O2
Molecular Weight 256.24
AlogP 5.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 71605-85-1
NORMAN SUSDAT
PubChem 522422
ChemSpider 455712.0