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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 Weight:
134.175 g/mol
Names and Synonyms:
Diglyme
1-Methoxy-2-(2-methoxyethoxy)ethane
B 0498
DMDG
1-(2-Methoxyethoxy)-2-methoxyethane
1,5-Dimethoxy-3-oxapentane
NSC 59726
Ansul Ether 141
Hisolve MDM
Dimethyl digol
Glyme 3
Di(2-methoxyethyl) ether
Methyl diglyme
Ethanol, 2,2′-oxybis-, dimethyl ether
(2-Methoxyethyl) ether
Dimethyl carbitol
2-(2-Methoxyethoxy)-1-methoxyethane
Glyme 2
Bis(2-methoxyethyl) ether
2,5,8-Trioxanonane
Poly-Solv
Diglyme
Diethylene glycol dimethyl ether
1,1′-Oxybis[2-methoxyethane]
Ether, bis(2-methoxyethyl)
Ethane, 1,1′-oxybis[2-methoxy-
Identifiers:
SMILES:
COCCOCCOC
InChI:
InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
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 | 134.18 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diglyme None | Legacy Database |
| cas-boiling-point | 162 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O(C)CCOCCOC None | Legacy Database |
| cas-density | 0.9451 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SBZXBUIDTXKZTM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -68 °C None | Legacy Database |
| cas-name | Diglyme None | Legacy Database |
| wikipedia-name | Diglyme None | Legacy Database |
| LogP | 0.29580000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.175 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.094294308 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.57099999999999 | RDKit |
