Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 950L7O6RJA
EPA CompTox DTXSID0074009

Structure

InChI Key RCBGGJURENJHKV-UHFFFAOYSA-N
Smiles CCCCCC(=C)C
InChI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16
Molecular Weight 112.13
AlogP 3.14
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 15870-10-7
NORMAN SUSDAT
FDA SRS 950L7O6RJA
PubChem 27519
ChemSpider 25610.0