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2-Ethyl-2-Adamantyl Methacrylate
CAS: 209982-56-9 | C16H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
209982-56-9
Molecular Formula:
C16H24O2
Molecular Mass:
248.37 g/mol
Names and Synonyms:
2-Ethyl-2-Adamantyl Methacrylate
2-Propenoic acid, 2-methyl-, 2-ethyltricyclo[3.3.1.13,7]dec-2-yl ester
2-Ethyl-2-adamantyl methacrylate
Adamantate EM
E 0909
2-Ethyladamantan-2-yl methacrylate
Identifiers:
SMILES:
C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChI:
InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
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 | 248.37 g/mol | CAS Common Chemistry |
| 248.36599999999993 g/mol | RDKit | |
| 248.177630008 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(CC)C2CC3CC(C2)CC1C3)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCTVCFJTKSQXED-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethyl-2-adamantyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.710600000000003 | RDKit |
| Molar Refractivity | 70.97300000000004 | RDKit |
