Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004791

Phytochemical name: Octaethyleneglycol monododecyl ether

Synonymous chemical names:
octaethylene glycol monododecyl ether, Octaethyleneglycol monododecyl ether

External chemical identifiers:
CID:CID_123921, ChEMBL:CHEMBL501722, ChEBI:CHEBI:41527, ZINC:ZINC000042805225, SureChEMBL:SCHEMBL60924, MolPort-003-938-851

---

Chemical structure information

SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI:
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3

InChIKey:
YYELLDKEOUKVIQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

Functional groups:
COC, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Triacylglycerols

NP-Likeness score: 0.057

---

Chemical structure download