Back to Search
Methyl Tert-Butyl Ether
CAS: 1634-04-4 | C5H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1634-04-4
Molecular Formula:
C5H12O
Molecular Weight:
88.14999999999999 g/mol
Names and Synonyms:
Methyl Tert-Butyl Ether
Common Name
Driveron
Synonym
1,1-Dimethylethyl methyl ether
Synonym
tert-Butoxymethane
Synonym
2-Methyl-2-methoxypropane
Synonym
Methyl 1,1-dimethylethyl ether
Synonym
Ether, tert-butyl methyl
Synonym
Methyl tertiary butyl ether
Synonym
t-Butyl methyl ether
Synonym
MTBE
Synonym
tert-Butyl methyl ether
Synonym
Methyl tert-butyl ether
Synonym
2-Methoxy-2-methylpropane
Synonym
Propane, 2-methoxy-2-methyl-
Synonym
Identifiers:
SMILES:
COC(C)(C)C
InChI:
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.14999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4313 | RDKit |
| molecular_mass | 88.15 g/mol | Legacy Database |
| density | 0.74 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyl_tert-butyl_ether None | Legacy Database |
| cas-boiling-point | 55.2 °C None | Legacy Database |
| cas-canonical-smile | O(C)C(C)(C)C None | Legacy Database |
| cas-density | 0.7405 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BZLVMXJERCGZMT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -108.6 °C None | Legacy Database |
| cas-name | tert-Butyl methyl ether None | Legacy Database |
| wikipedia-name | Methyl tert-butyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.761999999999986 | RDKit |