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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
Names and Synonyms:
Diallyl Diglycol Carbonate
2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propen-1-yl ester
Carbonic acid, oxydiethylene diallyl ester
2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propenyl ester
Carbonic acid, allyl ester, diester with diethylene glycol
Diethylene glycol diallyl dicarbonate
Carbonic acid, oxydi-2,1-ethanediyl di-2-propenyl ester
Diallyl diglycol carbonate
01M
Transallyl CR 39
TS 16
Diethylene glycol, bis(allyl carbonate)
Nouryset 200
RAV 7N
Diallyl oxydiethylene dicarbonate
High ADC-CR 39
NSC 5246
RAV 7AT
Hoya HL
RAV 7
Brite 55
CR 39R
Allyl diglycol carbonate
2,5,8-Trioxanonanedioic acid di-2-propenyl ester
CR 39 monomer
RAV 7AX
Identifiers:
SMILES:
C=CCOC(=O)OCCOCCOC(=O)OCC=C
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
Key Properties
Boiling Point
160 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
-4 °C
CAS Common Chemistry
Density
1.14 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 | 274.27 g/mol | CAS Common Chemistry |
| 274.26899999999995 g/mol | RDKit | |
| 274.10525291600004 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.143 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 160 °C @ Press: 4 Torr | 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 |
| Molar Refractivity | 65.81300000000005 | RDKit |
