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Methyl Vinyl Ether
CAS: 107-25-5 | C3H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-25-5
Molecular Formula:
C3H6O
Molecular Mass:
58.08 g/mol
Names and Synonyms:
Methyl Vinyl Ether
Ethene, methoxy-
Ether, methyl vinyl
Methoxyethene
Methyl vinyl ether
Vinyl methyl ether
Methoxyethylene
1-Methoxyethylene
1-(Vinyloxy)methane
Identifiers:
SMILES:
C=COC
InChI:
InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3
Key Properties
Boiling Point
12 °C
CAS Common Chemistry
Melting Point
-122 °C
CAS Common Chemistry
Density
0.77 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| 58.041864812 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7725 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_vinyl_ether | CAS Common Chemistry |
| Boiling Point | 12 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XJRBAMWJDBPFIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -122 °C | CAS Common Chemistry |
| Name | Methyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.7763 | RDKit |
| 0.77 | chempirical lib | |
| Molar Refractivity | 17.206 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib |
Related Molecules
Other compounds with formula C3H6O
