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(2-Oxo-1,3-Dioxolan-4-Yl)Methyl 2-Methyl-2-Propenoate
CAS: 13818-44-5 | C8H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13818-44-5
Molecular Formula:
C8H10O5
Molecular Mass:
186.16 g/mol
Names and Synonyms:
(2-Oxo-1,3-Dioxolan-4-Yl)Methyl 2-Methyl-2-Propenoate
2-Propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester
Methacrylic acid, 1-ester with 1,2,3-propanetriol cyclic carbonate
Methacrylic acid, 2,3-dihydroxypropyl ester, cyclic carbonate
(2-Oxo-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate
4-(Hydroxymethyl)-1,3-dioxolan-2-one methacrylate
2,3-Carbonatopropyl methacrylate
(2-Oxo-1,3-dioxolan-4-yl)methyl methacrylate
4-(Methacryloyloxy)methyl-1,3-dioxolane-2-ketone
4-Methacryloyloxymethyl-1,3-dioxolan-2-one
Glycerol carbonate methacrylate
(2-Oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
Propylene carbonate methacrylate
2-Methyl-acrylic acid 2-oxo-[1,3]-dioxolan-4-ylmethyl ester
Identifiers:
SMILES:
C=C(C)C(=O)OCC1COC(=O)O1
InChI:
InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
Key Properties
Boiling Point
112-132 °C @ Press: 0.06 Torr
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 | 186.16 g/mol | CAS Common Chemistry |
| 186.16299999999995 g/mol | RDKit | |
| 186.05282342 g/mol | RDKit | |
| Boiling Point | 112-132 °C @ Press: 0.06 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCC(O1)COC(=O)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NUTJVZGIRRFKKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2-Oxo-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.83 Ų | RDKit |
| LogP | 0.6411 | RDKit |
| Molar Refractivity | 41.994000000000014 | RDKit |
