Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50433349

Structure

InChI Key CXLGNJCMPWUZKM-UHFFFAOYSA-N
Smiles O=CC1CCOCC1
InChI
InChI=1S/C6H10O2/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 0.61
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 50675-18-8
NORMAN SUSDAT
PubChem 9964078
ChemSpider 8139672.0