methyl tert-butyl ether (CHEBI:27642)

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ChEBI Name	*methyl tert-butyl ether*

ChEBI ID	CHEBI:27642

ChEBI ASCII Name	methyl tert-butyl ether

Definition	An ether having methyl and tert-butyl as the two alkyl components.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:25261, CHEBI:6860, CHEBI:59027

Supplier Information	ChemicalBook:CB2853178, eMolecules:476971, ZINC000000967772

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Formula

C5H12O

Net Charge

Average Mass

88.14820

Monoisotopic Mass

88.08882

InChI

InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3

InChIKey

BZLVMXJERCGZMT-UHFFFAOYSA-N

SMILES

COC(C)(C)C

Metabolite of Species	Details
Vitis vinifera (NCBI:txid29760)	See: MetaboLights Study

Roles Classification
Chemical Role(s):	non-polar solvent fuel additive Any additive that enhances the efficiency of fuel.

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	non-polar solvent

ChEBI Ontology
Outgoing	methyl tert-butyl ether (CHEBI:27642) has role fuel additive (CHEBI:62803) methyl tert-butyl ether (CHEBI:27642) has role metabolite (CHEBI:25212) methyl tert-butyl ether (CHEBI:27642) has role non-polar solvent (CHEBI:48355) methyl tert-butyl ether (CHEBI:27642) is a ether (CHEBI:25698)

IUPAC Name

tert-butyl methyl ether

Last Modified

30 November 2015