Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50232894

Structure

InChI Key CUZYKBDJOKMPFH-UHFFFAOYSA-N
Smiles CCCCOCCOCO
InChI
InChI=1S/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16O3
Molecular Weight 148.11
AlogP 0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 38.69
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 84000-92-0
NORMAN SUSDAT
PubChem 3019577
ChemSpider 2286720.0