Summary

IMPPAT Phytochemical identifier: IMPHY017798

Phytochemical name: Diethyl adipate

Synonymous chemical names:
diethyl adipate

External chemical identifiers:
CID:8844, ChEBI:34697, ZINC:ZINC000001666736, FDASRS:7B19K45L6C, SureChEMBL:SCHEMBL50610, MolPort-001-779-655

---

Chemical structure information

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

InChI:
InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

InChIKey:
VIZORQUEIQEFRT-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCCCC=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: -0.005

---

Chemical structure download