Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W4UE8E2TSH
EPA CompTox DTXSID60162971

Structure

InChI Key IFVMAGPISVKRAR-UHFFFAOYSA-N
Smiles CCC1=CCCCC1
InChI
InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14
Molecular Weight 110.11
AlogP 2.9
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1453-24-3
NORMAN SUSDAT
FDA SRS W4UE8E2TSH
PubChem 73937
ChemSpider 66568.0