Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6E6J1J5JP6
EPA CompTox DTXSID00174351

Structure

InChI Key ZAGHKONXGGSVDV-UHFFFAOYSA-N
Smiles CCCCC1CCCC1
InChI
InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18
Molecular Weight 126.14
AlogP 3.37
Number of Rotational Bond 3.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2040-95-1
NORMAN SUSDAT
FDA SRS 6E6J1J5JP6
PubChem 16269
ChemSpider 15437.0