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Molecule
Diallyl Diglycol Carbonate
CAS: 142-22-3 · C12H18O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 142-22-3
- Molecular Formula
- C12H18O7
- Molecular Mass
- 274.27 g/mol
Identifiers
CAS Registry Number
142-22-3
SMILES
C=CCOC(=O)OCCOCCOC(=O)OCC=C
InChI Key
JHQVCQDWGSXTFE-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2
Names and Synonyms
- Diallyl Diglycol Carbonate Common Name
- 2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propen-1-yl ester Synonym
- Carbonic acid, oxydiethylene diallyl ester Synonym
- 2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propenyl ester Synonym
- Carbonic acid, allyl ester, diester with diethylene glycol Synonym
- Diethylene glycol diallyl dicarbonate Synonym
- Carbonic acid, oxydi-2,1-ethanediyl di-2-propenyl ester Synonym
- Diallyl diglycol carbonate Synonym
- 01M Synonym
- Transallyl CR 39 Synonym
- TS 16 Synonym
- Diethylene glycol, bis(allyl carbonate) Synonym
- Nouryset 200 Synonym
- RAV 7N Synonym
- Diallyl oxydiethylene dicarbonate Synonym
- High ADC-CR 39 Synonym
- NSC 5246 Synonym
- RAV 7AT Synonym
- Hoya HL Synonym
- RAV 7 Synonym
- Brite 55 Synonym
- CR 39R Synonym
- Allyl diglycol carbonate Synonym
- 2,5,8-Trioxanonanedioic acid di-2-propenyl ester Synonym
- CR 39 monomer Synonym
- RAV 7AX Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.27 g/mol | CAS Common Chemistry |
| 274.26899999999995 g/mol | RDKit | |
| 274.269 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.143 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC=C)OCCOCCOC(=O)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JHQVCQDWGSXTFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Name | Diallyl diglycol carbonate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.29 Ų | RDKit |
| LogP | 1.6814 | RDKit |
| 1.58 | chempirical lib | |
| Molar Refractivity | 65.81300000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 274.10525291600004 g/mol | RDKit |
| Boiling Point | 160 °C @ 4 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.
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MW = 274.27 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
