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Molecule record

Methyl tert-butyl ether

C5H12O

88.15 g/mol

2D structure for Methyl tert-butyl ether

Molecular properties

Formula
C5H12O
Molar mass
88.15 g·mol−1
Exact mass
88.0888 Da
0
0
1
9.20 Ų
0.9 (PubChem computed XLogP3-AA descriptor)
CAS
1634-04-4
PubChem CID
15413

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

No functional-group assignment has been curated yet.

Physical properties

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,1-dimethylethyl methyl ether
  • 1634-04-4
  • 2-Methoxy-2-methylpropane
  • 2-Methyl-2-methoxypropane
  • 2-methoxy-2-methyl propane
  • 216-653-1
  • 29I4YB3S89
  • CHEBI:27642
Show all 21 synonyms
  • DTXCID30833
  • DTXSID3020833
  • Ether, tert-butyl methyl
  • MTBE
  • Methyl 1,1-dimethylethyl ether
  • Methyl t-butyl ether
  • Methyl tertiary-butyl ether
  • Propane, 2-methoxy-2-methyl-
  • RefChem:818082
  • T-BUTYL METHYL ETHER
  • TERT-BUTOXYMETHANE
  • methyl tert-butyl ether (mtbe)
  • tert-Butyl methyl ether

Structure identifiers

Canonical SMILES
CC(C)(C)OC
Isomeric SMILES
CC(C)(C)OC
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIKey
BZLVMXJERCGZMT-UHFFFAOYSA-N
PubChem CID
15413

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for Methyl tert-butyl ether; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Methyl tert-butyl ether; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record