Summary

IMPPAT Phytochemical identifier: IMPHY017018

Phytochemical name: Butyl methyl ether

Synonymous chemical names:
butyl methyl ether

External chemical identifiers:
CID:12338, ZINC:ZINC000002031625, SureChEMBL:SCHEMBL8774

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Chemical structure information

SMILES:
CCCCOC

InChI:
InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3

InChIKey:
CXBDYQVECUFKRK-UHFFFAOYSA-N

DeepSMILES:
CCCCOC

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: Hydrocarbons

NP-Likeness score: -0.29

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Chemical structure download