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Molecule
Methyl Tert-Butyl Ether
CAS: 1634-04-4 · C5H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1634-04-4
- Molecular Formula
- C5H12O
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
1634-04-4
SMILES
COC(C)(C)C
InChI Key
BZLVMXJERCGZMT-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
Names and Synonyms
- Methyl Tert-Butyl Ether Common Name
- Propane, 2-methoxy-2-methyl- Synonym
- Ether, tert-butyl methyl Synonym
- 2-Methoxy-2-methylpropane Synonym
- Methyl tert-butyl ether Synonym
- 2-Methyl-2-methoxypropane Synonym
- tert-Butyl methyl ether Synonym
- Methyl 1,1-dimethylethyl ether Synonym
- tert-Butoxymethane Synonym
- MTBE Synonym
- 1,1-Dimethylethyl methyl ether Synonym
- t-Butyl methyl ether Synonym
- Methyl tertiary butyl ether Synonym
- Driveron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.15 g/mol | CAS Common Chemistry |
| 88.14999999999999 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7405 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_tert-butyl_ether | CAS Common Chemistry |
| Boiling Point | 55.2 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BZLVMXJERCGZMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -108.6 °C | CAS Common Chemistry |
| Name | tert-Butyl methyl ether | CAS Common Chemistry |
| Methyl tert-butyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.4313 | RDKit |
| Molar Refractivity | 26.761999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 88.15 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O.
