Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00886169

Structure

InChI Key VUFKMYLDDDNUJS-UHFFFAOYSA-N
Smiles CCOCC1CCCO1
InChI
InChI=1S/C7H14O2/c1-2-8-6-7-4-3-5-9-7/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O2
Molecular Weight 130.1
AlogP 1.2
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 18.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 62435-71-6
NORMAN SUSDAT
PubChem 98256
ChemSpider 88726.0