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Molecule
Dimethoxyethane
CAS: 110-71-4 · C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-71-4
- Molecular Formula
- C4H10O2
- Molecular Mass
- 90.12 g/mol
Identifiers
CAS Registry Number
110-71-4
SMILES
COCCOC
InChI Key
XTHFKEDIFFGKHM-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
Names and Synonyms
- Dimethoxyethane Synonym
- Ethane, 1,2-dimethoxy- Synonym
- 1,2-Dimethoxyethane Synonym
- α,β-Dimethoxyethane Synonym
- Dimethyl Cellosolve Synonym
- Ethylene dimethyl ether Synonym
- Ethylene glycol dimethyl ether Synonym
- Glycol dimethyl ether Synonym
- Monoglyme Synonym
- Glyme Synonym
- Monoethylene glycol dimethyl ether Synonym
- 2,5-Dioxahexane Synonym
- DME Synonym
- 1,2-Ethanediol, dimethyl ether Synonym
- DME (glycol ether) Synonym
- Hisolve MMM Synonym
- NSC 60542 Synonym
- Methyl Monoglyme Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.12 g/mol | CAS Common Chemistry |
| 90.122 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86285 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethoxyethane | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -58 °C | CAS Common Chemistry |
| Name | 1,2-Dimethoxyethane | CAS Common Chemistry |
| Dimethoxyethane | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.2792 | RDKit |
| Molar Refractivity | 23.751999999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 90.06807956 g/mol | RDKit |
| Boiling Point | 82-83 °C @ 760 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 90.12 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O2.
