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Molecule
2-Ethyl-2-Adamantyl Methacrylate
CAS: 209982-56-9 · C16H24O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 209982-56-9
- Molecular Formula
- C16H24O2
- Molecular Mass
- 248.37 g/mol
Identifiers
CAS Registry Number
209982-56-9
SMILES
C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3
InChI Key
DCTVCFJTKSQXED-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Ethyl-2-Adamantyl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 2-ethyltricyclo[3.3.1.13,7]dec-2-yl ester Synonym
- 2-Ethyl-2-adamantyl methacrylate Synonym
- Adamantate EM Synonym
- E 0909 Synonym
- 2-Ethyladamantan-2-yl methacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.37 g/mol | CAS Common Chemistry |
| 248.36599999999993 g/mol | RDKit | |
| 248.366 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 |
| 3.7106 | RDKit | |
| Molar Refractivity | 70.97300000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8125 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 248.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 248.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H24O2.
