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Diethylene Glycol Monovinyl Ether
CAS: 929-37-3 | C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-37-3
Molecular Formula:
C6H12O3
Molecular Weight:
132.15900000000002 g/mol
Names and Synonyms:
Diethylene Glycol Monovinyl Ether
Ethanol, 2-[2-(ethenyloxy)ethoxy]-
Ethanol, 2-[2-(vinyloxy)ethoxy]-
2-[2-(Ethenyloxy)ethoxy]ethanol
Diethylene glycol monovinyl ether
2-[2-(Vinyloxy)ethoxy]ethanol
NSC 8267
2-(Hydroxyethoxy)ethyl vinyl ether
1-Vinyloxy-5-hydroxy-3-oxapentane
2-(2-Hydroxyethoxy)ethyl vinyl ether
2-(2-Ethenoxyethoxy)ethanol
EM 2241H
Identifiers:
SMILES:
C=COCCOCCO
InChI:
InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
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 | 132.16 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| cas-boiling-point | 78-79 °C @ Press: 2.5 Torr None | Legacy Database |
| cas-canonical-smile | OCCOCCOC=C None | Legacy Database |
| cas-density | 1.0267 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WULAHPYSGCVQHM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Diethylene glycol monovinyl ether None | Legacy Database |
| LogP | 0.15539999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.15900000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.078644244 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 | 1 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 | 38.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.05379999999999 | RDKit |
