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Molecule
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 Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
929-37-3
SMILES
C=COCCOCCO
InChI Key
WULAHPYSGCVQHM-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
Names and Synonyms
- Diethylene Glycol Monovinyl Ether Synonym
- Ethanol, 2-[2-(ethenyloxy)ethoxy]- Synonym
- Ethanol, 2-[2-(vinyloxy)ethoxy]- Synonym
- 2-[2-(Ethenyloxy)ethoxy]ethanol Synonym
- Diethylene glycol monovinyl ether Synonym
- 2-[2-(Vinyloxy)ethoxy]ethanol Synonym
- NSC 8267 Synonym
- 2-(Hydroxyethoxy)ethyl vinyl ether Synonym
- 1-Vinyloxy-5-hydroxy-3-oxapentane Synonym
- 2-(2-Hydroxyethoxy)ethyl vinyl ether Synonym
- 2-(2-Ethenoxyethoxy)ethanol Synonym
- EM 2241H Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.15900000000002 g/mol | RDKit | |
| 132.159 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0267 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCOC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WULAHPYSGCVQHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylene glycol monovinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.15539999999999993 | RDKit |
| 0.1554 | RDKit | |
| Molar Refractivity | 34.05379999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 132.078644244 g/mol | RDKit |
| Boiling Point | 78-79 °C @ 2.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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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Quick conversion
MW = 132.16 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O3.
