Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y07U3Q24US
EPA CompTox DTXSID8062288

Structure

InChI Key YVSFLVNWJIEJRV-UHFFFAOYSA-N
Smiles CCCCCCCCCC#C
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20
Molecular Weight 152.16
AlogP 3.76
Number of Rotational Bond 7.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2243-98-3
NORMAN SUSDAT
FDA SRS Y07U3Q24US
PubChem 75249
ChemSpider 67793.0