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Molecule
Dimethyl Ether
CAS: 115-10-6 · C2H6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 115-10-6
- Molecular Formula
- C2H6O
- Molecular Mass
- 46.07 g/mol
Identifiers
CAS Registry Number
115-10-6
SMILES
COC
InChI Key
LCGLNKUTAGEVQW-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O/c1-3-2/h1-2H3
Names and Synonyms
- Dimethyl Ether Synonym
- Methane, 1,1′-oxybis- Synonym
- Dimethyl ether Synonym
- Methyl ether Synonym
- Methane, oxybis- Synonym
- Ether, dimethyl Synonym
- 1,1′-Oxybis[methane] Synonym
- Wood ether Synonym
- Methoxymethane Synonym
- Dimethyl oxide Synonym
- Dymel A Synonym
- DME Synonym
- Demeon D Synonym
- RE 170 Synonym
- RE 170 (refrigerant) Synonym
- LPG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 46.07 g/mol | CAS Common Chemistry |
| 46.069 g/mol | RDKit | |
| Density | 0.61 g/cm³ | CAS Common Chemistry |
| 0.61 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_ether | CAS Common Chemistry |
| Boiling Point | -24.8 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O/c1-3-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LCGLNKUTAGEVQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -141.5 °C | CAS Common Chemistry |
| Name | Methyl ether | CAS Common Chemistry |
| Dimethyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 3 | 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 | 0.26260000000000006 | RDKit |
| 0.2626 | RDKit | |
| Molar Refractivity | 12.933000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 46.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 46.07 g/mol; density = 0.610 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6O.
