Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50887580

Structure

InChI Key WYUWHCDYSJXTHL-UHFFFAOYSA-N
Smiles O=C1OCC(CC1)CCCCCCCCCC
InChI
InChI=1/C15H28O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(16)17-13-14/h14H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28O2
Molecular Weight 240.21
AlogP 4.47
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 68922-03-2
NORMAN SUSDAT
PubChem 111438