Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10984281

Structure

InChI Key RANNPNXRABIJJU-UHFFFAOYSA-N
Smiles O1CCOCCOCC(OCCOCC1)CCCCCC
InChI
InChI=1/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O5
Molecular Weight 304.22
AlogP 2.42
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 46.15
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 65743-07-9
NORMAN SUSDAT
PubChem 6455190