Summary

IMPPAT Phytochemical identifier: IMPHY001961

Phytochemical name: Ethyl isopropyl ether

Synonymous chemical names:
2-ethoxypropane

External chemical identifiers:
CID:12256, ZINC:ZINC000002031650, SureChEMBL:SCHEMBL42798, MolPort-003-987-040

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Chemical structure information

SMILES:
CCOC(C)C

InChI:
InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3

InChIKey:
XSJVWZAETSBXKU-UHFFFAOYSA-N

DeepSMILES:
CCOCC)C

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 Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: -0.708

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Chemical structure download