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Molecule
(2-Oxo-1,3-Dioxolan-4-Yl)Methyl 2-Methyl-2-Propenoate
CAS: 13818-44-5 · C8H10O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13818-44-5
- Molecular Formula
- C8H10O5
- Molecular Mass
- 186.16 g/mol
Identifiers
CAS Registry Number
13818-44-5
SMILES
C=C(C)C(=O)OCC1COC(=O)O1
InChI Key
NUTJVZGIRRFKKI-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O5/c1-5(2)7(9)11-3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
Names and Synonyms
- (2-Oxo-1,3-Dioxolan-4-Yl)Methyl 2-Methyl-2-Propenoate Systematic Name
- 2-Propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester Synonym
- Methacrylic acid, 1-ester with 1,2,3-propanetriol cyclic carbonate Synonym
- Methacrylic acid, 2,3-dihydroxypropyl ester, cyclic carbonate Synonym
- (2-Oxo-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate Synonym
- 4-(Hydroxymethyl)-1,3-dioxolan-2-one methacrylate Synonym
- 2,3-Carbonatopropyl methacrylate Synonym
- (2-Oxo-1,3-dioxolan-4-yl)methyl methacrylate Synonym
- 4-(Methacryloyloxy)methyl-1,3-dioxolane-2-ketone Synonym
- 4-Methacryloyloxymethyl-1,3-dioxolan-2-one Synonym
- Glycerol carbonate methacrylate Synonym
- (2-Oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate Synonym
- Propylene carbonate methacrylate Synonym
- 2-Methyl-acrylic acid 2-oxo-[1,3]-dioxolan-4-ylmethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.16 g/mol | CAS Common Chemistry |
| 186.16299999999995 g/mol | RDKit | |
| 186.163 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 186.05282342 g/mol | RDKit |
| Boiling Point | 112-132 °C @ 0.06 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 186.16 g/mol. Edit any field — others recompute live.
