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Methoxymethane
CAS: 115-10-6 | C2H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
115-10-6
Molecular Formula:
C2H6O
Molecular Weight:
46.069 g/mol
Names and Synonyms:
Methoxymethane
Synonym
Dimethyl oxide
Synonym
Dymel A
Synonym
LPG
Synonym
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
DME
Synonym
Demeon D
Synonym
RE 170
Synonym
RE 170 (refrigerant)
Synonym
Identifiers:
SMILES:
COC
InChI:
InChI=1S/C2H6O/c1-3-2/h1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 46.07 g/mol | Legacy Database |
| density | 0.61 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl_ether None | Legacy Database |
| cas-boiling-point | -24.8 °C None | Legacy Database |
| cas-canonical-smile | O(C)C None | Legacy Database |
| cas-density | 0.61 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O/c1-3-2/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LCGLNKUTAGEVQW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -141.5 °C None | Legacy Database |
| cas-name | Methyl ether None | Legacy Database |
| wikipedia-name | Dimethyl ether None | Legacy Database |
| LogP | 0.26260000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 46.069 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 46.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.933000000000002 | RDKit |