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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
Names and Synonyms:
Neopentyl Glycol Dimethacrylate
2-Propenoic acid, 2-methyl-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester
Methacrylic acid, 2,2-dimethyltrimethylene ester
2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester
1,3-Propanediol, 2,2-dimethyl-, dimethacrylate
2,2-Dimethyl-1,3-propanediol dimethacrylate
Neopentyl glycol dimethacrylate
α,ω-Bis(methacryloyloxy)-2,2-dimethylpropylene
Neopentyl bis(methacrylate)
Neopentanediol dimethacrylate
NK Ester NPG
TD 1523
Light Ester NP
NK Ester NPG-DM
Pleximon V 773
FA 125M
SR 248
Neopentyl dimethacrylate
Sartomer SR 248
NK NPG
Fancryl FA 125M
2,2-Dimethylpropane-1,3-diyl bis(2-methylacrylate)
[2,2-Dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
Miramer M 213
Identifiers:
SMILES:
C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C
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
Key Properties
Boiling Point
87 °C
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 | 240.30 g/mol | CAS Common Chemistry |
| 240.29899999999992 g/mol | RDKit | |
| 240.13615912 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 | RDKit |
