Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UQT6N9GTE2
EPA CompTox DTXSID50880910

Structure

InChI Key ABQLAMJAQZFPJI-UHFFFAOYSA-N
Smiles O=C1OCCC1CCCCCCC
InChI
InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-13-11(10)12/h10H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.15
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2983-21-3
NORMAN SUSDAT
FDA SRS UQT6N9GTE2
PubChem 102914