Back to Search
2-Methyl-2-Adamantyl Methacrylate
CAS: 177080-67-0 | C15H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
177080-67-0
Molecular Formula:
C15H22O2
Molecular Mass:
234.34 g/mol
Names and Synonyms:
2-Methyl-2-Adamantyl Methacrylate
2-Propenoic acid, 2-methyl-, 2-methyltricyclo[3.3.1.13,7]dec-2-yl ester
2-Methacryloyloxy-2-methyladamantane
2-Methyl-2-adamantyl methacrylate
Adamantate MM
2-Methyladamantan-2-yl methacrylate
2-Methyl-2-methacryloyloxyadamantane
(2-Methyl-2-adamantyl) 2-methylprop-2-enoate
Identifiers:
SMILES:
C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChI:
InChI=1S/C15H22O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,1,4-8H2,2-3H3
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 | 234.34 g/mol | CAS Common Chemistry |
| 234.3389999999999 g/mol | RDKit | |
| 234.161979944 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C)C2CC3CC(C2)CC1C3)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H22O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,1,4-8H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FDYDISGSYGFRJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-2-adamantyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.320500000000002 | RDKit |
| Molar Refractivity | 66.35600000000004 | RDKit |
