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Molecule
Diglyme
CAS: 111-96-6 · C6H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-96-6
- Molecular Formula
- C6H14O3
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
111-96-6
SMILES
COCCOCCOC
InChI Key
SBZXBUIDTXKZTM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
Names and Synonyms
- Diglyme Common Name
- Ethane, 1,1′-oxybis[2-methoxy- Synonym
- Ether, bis(2-methoxyethyl) Synonym
- 1,1′-Oxybis[2-methoxyethane] Synonym
- Diethylene glycol dimethyl ether Synonym
- Diglyme Synonym
- Poly-Solv Synonym
- 2,5,8-Trioxanonane Synonym
- Bis(2-methoxyethyl) ether Synonym
- Glyme 2 Synonym
- 2-(2-Methoxyethoxy)-1-methoxyethane Synonym
- Dimethyl carbitol Synonym
- (2-Methoxyethyl) ether Synonym
- Ethanol, 2,2′-oxybis-, dimethyl ether Synonym
- Methyl diglyme Synonym
- Di(2-methoxyethyl) ether Synonym
- Glyme 3 Synonym
- Dimethyl digol Synonym
- Hisolve MDM Synonym
- Ansul Ether 141 Synonym
- NSC 59726 Synonym
- 1,5-Dimethoxy-3-oxapentane Synonym
- 1-(2-Methoxyethoxy)-2-methoxyethane Synonym
- DMDG Synonym
- B 0498 Synonym
- 1-Methoxy-2-(2-methoxyethoxy)ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.175 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9451 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diglyme | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBZXBUIDTXKZTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -68 °C | CAS Common Chemistry |
| Name | Diglyme | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.29580000000000006 | RDKit |
| 0.2958 | RDKit | |
| Molar Refractivity | 34.57099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.094294308 g/mol | RDKit |
| Boiling Point | 162 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
80
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40
20
0 ppm
| 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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MW = 134.18 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O3.
