Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R5A7J33U62
EPA CompTox DTXSID9070539

Structure

InChI Key DZDNSWFWQXTWAM-UHFFFAOYSA-N
Smiles CCC(C)(C)C(=C(C)C)C
InChI
InChI=1S/C10H20/c1-7-10(5,6)9(4)8(2)3/h7H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20
Molecular Weight 140.16
AlogP 3.78
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 67634-13-3
NORMAN SUSDAT
FDA SRS R5A7J33U62
PubChem 106741
ChemSpider 96073.0