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1,12-Dodecanediol Dimethacrylate
CAS: 72829-09-5 | C20H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72829-09-5
Molecular Formula:
C20H34O4
Molecular Mass:
338.49 g/mol
Names and Synonyms:
1,12-Dodecanediol Dimethacrylate
2-Propenoic acid, 2-methyl-, 1,1′-(1,12-dodecanediyl) ester
2-Propenoic acid, 2-methyl-, 1,12-dodecanediyl ester
1,12-DDDMA
1,12-Dodecanediyl dimethacrylate
DDDMA
1,12-Dodecanediol dimethacrylate
1,12-Dodecamethylene dimethacrylate
Dodecamethylene dimethacrylate
CD 262
SR 262
Identifiers:
SMILES:
C=C(C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C
InChI:
InChI=1S/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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 |
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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 | 338.49 g/mol | CAS Common Chemistry |
| 338.488 g/mol | RDKit | |
| 338.245709568 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCOC(=O)C(=C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HYQASEVIBPSPMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,12-Dodecanediol dimethacrylate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 5.126000000000005 | RDKit |
| Molar Refractivity | 97.71600000000007 | RDKit |
