Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MGD62XB9AE
EPA CompTox DTXSID90192029

Structure

InChI Key TVSBRLGQVHJIKT-UHFFFAOYSA-N
Smiles CC(C)C1CCCC1
InChI
InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16
Molecular Weight 112.13
AlogP 2.83
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3875-51-2
NORMAN SUSDAT
FDA SRS MGD62XB9AE
PubChem 19751
ChemSpider 18604.0