Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S5AY9ZBZ4R
EPA CompTox DTXSID70193433

Structure

InChI Key RTMQRCLOAACETL-UHFFFAOYSA-N
Smiles O=C(OCC)CC(=O)CCCC(=O)OCC
InChI
InChI=1/C11H18O5/c1-3-15-10(13)7-5-6-9(12)8-11(14)16-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O5
Molecular Weight 230.12
AlogP 1.24
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 69.67
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 40420-22-2
NORMAN SUSDAT
FDA SRS S5AY9ZBZ4R
PubChem 575510