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Hydroxyethyl Vinyl Ether
CAS: 764-48-7 | C4H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
764-48-7
Molecular Formula:
C4H8O2
Molecular Weight:
88.106 g/mol
Names and Synonyms:
Hydroxyethyl Vinyl Ether
Synonym
Ethanol, 2-(ethenyloxy)-
Synonym
Ethanol, 2-(vinyloxy)-
Synonym
2-(Ethenyloxy)ethanol
Synonym
Ethylene glycol vinyl ether
Synonym
Ethylene glycol monovinyl ether
Synonym
2-(Vinyloxy)ethanol
Synonym
2-Hydroxyethyl vinyl ether
Synonym
Vinyloxyethanol
Synonym
Monovinyl glycol ether
Synonym
Hydroxyethyl vinyl ether
Synonym
2-Vinyloxy-1-ethanol
Synonym
2-(Ethenyloxy)ethan-1-ol
Synonym
2-Ethenoxyethanol
Synonym
Identifiers:
SMILES:
C=COCCO
InChI:
InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2
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 | 88.11 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| cas-boiling-point | 141.6 °C None | Legacy Database |
| cas-canonical-smile | OCCOC=C None | Legacy Database |
| cas-density | 0.9821 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VUIWJRYTWUGOOF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Hydroxyethyl vinyl ether None | Legacy Database |
| LogP | 0.13879999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.106 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.052429496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.234799999999993 | RDKit |