Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KG8M3UNR9E
EPA CompTox DTXSID30871205

Structure

InChI Key JEYLKNVLTAPJAF-UHFFFAOYSA-N
Smiles OC(C(=C)C)C
InChI
InChI=1/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O
Molecular Weight 86.07
AlogP 0.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10473-14-0
NORMAN SUSDAT
FDA SRS KG8M3UNR9E
PubChem 66329