Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 382AKH052V
EPA CompTox DTXSID80873239

Structure

InChI Key SGVYKUFIHHTIFL-UHFFFAOYSA-N
Smiles CCCCCCCC(C)C
InChI
InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22
Molecular Weight 142.17
AlogP 4.0
Number of Rotational Bond 6.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 871-83-0
NORMAN SUSDAT
FDA SRS 382AKH052V
PubChem 13379
ChemSpider 12807.0