Summary

IMPPAT Phytochemical identifier: IMPHY017059

Phytochemical name: Diethyl glutarate

Synonymous chemical names:
diethyl glutarate

External chemical identifiers:
CID:13163, ChEBI:87319, ZINC:ZINC000001648311, FDASRS:84O6XW9RFE, SureChEMBL:SCHEMBL50734, MolPort-003-941-210

---

Chemical structure information

SMILES:
CCOC(=O)CCCC(=O)OCC

InChI:
InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3

InChIKey:
OUWSNHWQZPEFEX-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCCC=O)OCC

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.077

---

Chemical structure download