Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3UIU4Z489X
EPA CompTox DTXSID0061454

Structure

InChI Key PSABUFWDVWCFDP-UHFFFAOYSA-N
Smiles CCCCCC(C)(C)C
InChI
InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20
Molecular Weight 128.16
AlogP 3.61
Number of Rotational Bond 3.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1071-26-7
NORMAN SUSDAT
FDA SRS 3UIU4Z489X
PubChem 14062
ChemSpider 13443.0