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1H,1H,11H-Eicosafluoroundecyl Methacrylate
CAS: 41123-44-8 | C15H8F20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41123-44-8
Molecular Formula:
C15H8F20O2
Molecular Mass:
600.19 g/mol
Names and Synonyms:
1H,1H,11H-Eicosafluoroundecyl Methacrylate
2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoroundecyl ester
1H,1H,11H-Eicosafluoroundecyl methacrylate
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecyl methacrylate
Identifiers:
SMILES:
C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI:
InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 | 600.19 g/mol | CAS Common Chemistry |
| 600.1870000000001 g/mol | RDKit | |
| 600.0204938960001 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PUCOLQDJAFBFDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H,1H,11H-Eicosafluoroundecyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 7.088500000000004 | RDKit |
| Molar Refractivity | 76.3 | RDKit |
