Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J2LG2E3N3V
EPA CompTox DTXSID00158934

Structure

InChI Key RMQHJMMCLSJULX-UHFFFAOYSA-N
Smiles CCCC(C)(C)C(C)(C)C
InChI
InChI=1S/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22
Molecular Weight 142.17
AlogP 3.86
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13475-81-5
NORMAN SUSDAT
FDA SRS J2LG2E3N3V
PubChem 26057
ChemSpider 24271.0