Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8K42DY4JFB
EPA CompTox DTXSID60864766

Structure

InChI Key IALRSQMWHFKJJA-UHFFFAOYSA-N
Smiles CCCCCC(C)CCC
InChI
InChI=1/C10H22/c1-4-6-7-9-10(3)8-5-2/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 17301-94-9
NORMAN SUSDAT
FDA SRS 8K42DY4JFB
PubChem 28455