Summary

IMPPAT Phytochemical identifier: IMPHY017025

Phytochemical name: Dioctyl ether

Synonymous chemical names:
caprylic ether

External chemical identifiers:
CID:12399, ChEBI:88651, ZINC:ZINC000059209122, FDASRS:77JZM5516Z, SureChEMBL:SCHEMBL56447, MolPort-001-789-287

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Chemical structure information

SMILES:
CCCCCCCCOCCCCCCCC

InChI:
InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey:
NKJOXAZJBOMXID-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOCCCCCCCC

Functional groups:
COC

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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-Likeness score: -0.019

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Chemical structure download