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Molecule
2-Methyl-2-Adamantyl Methacrylate
CAS: 177080-67-0 · C15H22O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 177080-67-0
- Molecular Formula
- C15H22O2
- Molecular Mass
- 234.34 g/mol
Identifiers
CAS Registry Number
177080-67-0
SMILES
C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChI Key
FDYDISGSYGFRJM-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Methyl-2-Adamantyl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 2-methyltricyclo[3.3.1.13,7]dec-2-yl ester Synonym
- 2-Methacryloyloxy-2-methyladamantane Synonym
- 2-Methyl-2-adamantyl methacrylate Synonym
- Adamantate MM Synonym
- 2-Methyladamantan-2-yl methacrylate Synonym
- 2-Methyl-2-methacryloyloxyadamantane Synonym
- (2-Methyl-2-adamantyl) 2-methylprop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.34 g/mol | CAS Common Chemistry |
| 234.3389999999999 g/mol | RDKit | |
| 234.339 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 |
| 3.3205 | RDKit | |
| Molar Refractivity | 66.35600000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 234.161979944 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 = 234.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H22O2.
