Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G1EH35W01H
EPA CompTox DTXSID9073200

Structure

InChI Key FLTJDUOFAQWHDF-UHFFFAOYSA-N
Smiles CCCCC(C)(C)C
InChI
InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18
Molecular Weight 114.14
AlogP 3.22
Number of Rotational Bond 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 590-73-8
NORMAN SUSDAT
FDA SRS G1EH35W01H
PubChem 11551
ChemSpider 11064.0