Summary

IMPPAT Phytochemical identifier: IMPHY009644

Phytochemical name: Butyl ethyl ether

Synonymous chemical names:
1-ethoxy-butane

External chemical identifiers:
CID:12355, ChEMBL:CHEMBL3561108, ZINC:ZINC000002031618, FDASRS:NO396R19PJ, SureChEMBL:SCHEMBL43234

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Chemical structure information

SMILES:
CCCCOCC

InChI:
InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3

InChIKey:
PZHIWRCQKBBTOW-UHFFFAOYSA-N

DeepSMILES:
CCCCOCC

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: -0.697

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Chemical structure download