Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EC0WA2IXU7
EPA CompTox DTXSID9074725

Structure

InChI Key MELUCTCJOARQQG-UHFFFAOYSA-N
Smiles CCCC#CC
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10
Molecular Weight 82.08
AlogP 1.81
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 764-35-2
NORMAN SUSDAT
FDA SRS EC0WA2IXU7
PubChem 33629
ChemSpider 31016.0