Back to Search
Molecule
Vinylethylene Carbonate
CAS: 4427-96-7 · C5H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4427-96-7
- Molecular Formula
- C5H6O3
- Molecular Mass
- 114.10 g/mol
Identifiers
CAS Registry Number
4427-96-7
SMILES
C=CC1COC(=O)O1
InChI Key
BJWMSGRKJIOCNR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
Names and Synonyms
- Vinylethylene Carbonate Synonym
- 1,3-Dioxolan-2-one, 4-ethenyl- Synonym
- Carbonic acid, cyclic vinylethylene ester Synonym
- 4-Ethenyl-1,3-dioxolan-2-one Synonym
- Vinylethylene carbonate Synonym
- 4-Vinyl-1,3-dioxolan-2-one Synonym
- 4-Vinylethylene carbonate Synonym
- 4-Ethenyl-4,5-dihydro-1,3-dioxol-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.10 g/mol | CAS Common Chemistry |
| 114.09999999999998 g/mol | RDKit | |
| 114.1 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.183 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1OCC(O1)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BJWMSGRKJIOCNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vinylethylene carbonate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.7078 | RDKit |
| Molar Refractivity | 26.41799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 114.031694052 g/mol | RDKit |
| Boiling Point | 123 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 114.10 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6O3.
