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Molecule
1,12-Dodecanediol Dimethacrylate
CAS: 72829-09-5 · C20H34O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 72829-09-5
- Molecular Formula
- C20H34O4
- Molecular Mass
- 338.49 g/mol
Identifiers
CAS Registry Number
72829-09-5
SMILES
C=C(C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C
InChI Key
HYQASEVIBPSPMK-UHFFFAOYSA-N
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
Names and Synonyms
- 1,12-Dodecanediol Dimethacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 1,1′-(1,12-dodecanediyl) ester Synonym
- 2-Propenoic acid, 2-methyl-, 1,12-dodecanediyl ester Synonym
- 1,12-DDDMA Synonym
- 1,12-Dodecanediyl dimethacrylate Synonym
- DDDMA Synonym
- 1,12-Dodecanediol dimethacrylate Synonym
- 1,12-Dodecamethylene dimethacrylate Synonym
- Dodecamethylene dimethacrylate Synonym
- CD 262 Synonym
- SR 262 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.49 g/mol | CAS Common Chemistry |
| 338.488 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 |
| 5.126 | RDKit | |
| 5.57 | chempirical lib | |
| Molar Refractivity | 97.71600000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 338.245709568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 338.49 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H34O4.
