Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XP8WND53NL
EPA CompTox DTXSID50208534

Structure

InChI Key RMGHERXMTMUMMV-UHFFFAOYSA-N
Smiles COC(C)C
InChI
InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O1
Molecular Weight 74.07
AlogP 1.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 598-53-8
NORMAN SUSDAT
FDA SRS XP8WND53NL
PubChem 11721
ChemSpider 11228.0