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Divinyl Ether
CAS: 109-93-3 | C4H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-93-3
Molecular Formula:
C4H6O
Molecular Weight:
70.09100000000001 g/mol
Names and Synonyms:
Divinyl Ether
Synonym
Ethene, 1,1′-oxybis-
Synonym
Vinyl ether
Synonym
Divinyl ether
Synonym
Divinyl oxide
Synonym
Vinesthene
Synonym
Vinydan
Synonym
Vinethene
Synonym
Vinesthesin
Synonym
Vinethen
Synonym
Vinidyl
Synonym
Vinether
Synonym
1,1′-Oxybisethene
Synonym
(Ethenyloxy)ethene
Synonym
Identifiers:
SMILES:
C=COC=C
InChI:
InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2
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 | 70.09 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Divinyl_ether None | Legacy Database |
| cas-boiling-point | 28.3 °C None | Legacy Database |
| cas-canonical-smile | O(C=C)C=C None | Legacy Database |
| cas-density | 0.8791 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=QYKIQEUNHZKYBP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -101 °C None | Legacy Database |
| cas-name | Vinyl ether None | Legacy Database |
| wikipedia-name | Divinyl ether None | Legacy Database |
| LogP | 1.29 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.09100000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.478999999999992 | RDKit |