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

Structure

InChI Key QPBYBLZYMNWGMO-UHFFFAOYSA-N
Smiles O1C(C)C1(C)C
InChI
InChI=1/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O
Molecular Weight 86.07
AlogP 1.18
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5076-19-7
NORMAN SUSDAT
PubChem 21158