Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2RF63N709K
EPA CompTox DTXSID30174485

Structure

InChI Key LKKOGZVQGQUVHF-UHFFFAOYSA-N
Smiles CCOC(=O)CCCCCC(=O)OCC
InChI
InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O4
Molecular Weight 216.14
AlogP 2.06
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 52.6
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2050-20-6
NORMAN SUSDAT
FDA SRS 2RF63N709K
PubChem 16300
ChemSpider 15466.0