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Molecule
Neopentyl Glycol Dimethacrylate
CAS: 1985-51-9 · C13H20O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1985-51-9
- Molecular Formula
- C13H20O4
- Molecular Mass
- 240.30 g/mol
Identifiers
CAS Registry Number
1985-51-9
SMILES
C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C
InChI Key
ULQMPOIOSDXIGC-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3
Names and Synonyms
- Neopentyl Glycol Dimethacrylate Common Name
- 2-Propenoic acid, 2-methyl-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester Synonym
- Methacrylic acid, 2,2-dimethyltrimethylene ester Synonym
- 2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester Synonym
- 1,3-Propanediol, 2,2-dimethyl-, dimethacrylate Synonym
- 2,2-Dimethyl-1,3-propanediol dimethacrylate Synonym
- Neopentyl glycol dimethacrylate Synonym
- α,ω-Bis(methacryloyloxy)-2,2-dimethylpropylene Synonym
- Neopentyl bis(methacrylate) Synonym
- Neopentanediol dimethacrylate Synonym
- NK Ester NPG Synonym
- TD 1523 Synonym
- Light Ester NP Synonym
- NK Ester NPG-DM Synonym
- Pleximon V 773 Synonym
- FA 125M Synonym
- SR 248 Synonym
- Neopentyl dimethacrylate Synonym
- Sartomer SR 248 Synonym
- NK NPG Synonym
- Fancryl FA 125M Synonym
- 2,2-Dimethylpropane-1,3-diyl bis(2-methylacrylate) Synonym
- [2,2-Dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate Synonym
- Miramer M 213 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.30 g/mol | CAS Common Chemistry |
| 240.29899999999992 g/mol | RDKit | |
| 240.299 g/mol | RDKit | |
| Boiling Point | 87 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ULQMPOIOSDXIGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Neopentyl glycol dimethacrylate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.2512 | RDKit |
| Molar Refractivity | 65.32700000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 240.13615912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 240.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H20O4.
