Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CGW5GN8TXU
EPA CompTox DTXSID9025530

Structure

InChI Key CFJYNSNXFXLKNS-UHFFFAOYSA-N
Smiles CC(C)C1CCC(C)CC1
InChI
InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20
Molecular Weight 140.16
AlogP 3.47
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 99-82-1
NORMAN SUSDAT
FDA SRS CGW5GN8TXU
PubChem 7459
ChemSpider 7179.0