Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S18C168OWC
EPA CompTox DTXSID7041916

Structure

InChI Key JKRZOJADNVOXPM-UHFFFAOYSA-N
Smiles CCCCOC(=O)C(=O)OCCCC
InChI
InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4
Molecular Weight 202.12
AlogP 1.67
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 52.6
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 2050-60-4
NORMAN SUSDAT
FDA SRS S18C168OWC
PubChem 16306
ChemSpider 15472.0