Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XCM6KK2C4N
EPA CompTox DTXSID90871827

Structure

InChI Key INCCMBMMWVKEGJ-UHFFFAOYSA-N
Smiles O1COC(C)CC1
InChI
InChI=1/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O2
Molecular Weight 102.07
AlogP 0.77
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1120-97-4
NORMAN SUSDAT
FDA SRS XCM6KK2C4N
PubChem 14269