Marvin  03081010172D          

  6  5  0  0  0  0            999 V2000
    9.8435   -5.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5579   -4.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2723   -5.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -4.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8435   -5.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
> <ID>
CHEBI:27642

> <NAME>
methyl tert-butyl ether

> <DEFINITION>
An ether having methyl and tert-butyl as the two alkyl components.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:25261; CHEBI:6860; CHEBI:59027

> <SYNONYM>
tert-C4H9OCH3; tert-Butyl methyl ether; t-Butyl methyl ether; MTBE; Methyl tertiary-butyl ether; Methyl tert-butyl ether; Methyl t-butyl ether; Methyl 1,1-dimethylethyl ether; 2-Methyl-2-methoxypropane; 2-Methoxy-2-methylpropane

> <IUPAC_NAME>
tert-butyl methyl ether

> <FORMULA>
C5H12O

> <MASS>
88.14820

> <MONOISOTOPIC_MASS>
88.08882

> <CHARGE>
0

> <SMILES>
COC(C)(C)C

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

> <INCHIKEY>
BZLVMXJERCGZMT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1730942

> <CAS_REGISTRY_NUMBER>
1634-04-4

> <GMELIN_REGISTRY_NUMBER>
773738

> <REAXYS_REGISTRY_NUMBER>
1730942

> <CHEMIDPLUS>
1634-04-4

> <KEGG_COMPOUND_ACCESSION>
C11344

> <WIKIPEDIA_ACCESSION>
MTBE

> <PUBMED_CITATION>
19201538; 21044818; 21072404; 21112690; 21130999; 21131048; 21227585; 21315889; 21330701; 21482276; 21644118; 21684239; 21780613; 21782339; 9472332

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