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3-Hydroxy-1-Adamantyl Methacrylate
CAS: 115372-36-6 | C14H20O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
115372-36-6
Molecular Formula:
C14H20O3
Molecular Mass:
236.31 g/mol
Names and Synonyms:
3-Hydroxy-1-Adamantyl Methacrylate
HADM
1,3-Adamantyldiol monomethacrylate
3-Hydroxy-1-methacryloyloxyadamantane
3-Hydroxyadamantan-1-yl methacrylate
2-Propenoic acid, 2-methyl-, 3-hydroxytricyclo[3.3.1.13,7]dec-1-yl ester
1-Methacryloyloxy-3-adamantanol
1,3-Adamantanediol monomethacrylate
3-Hydroxy-1-adamantyl methacrylate
Adamantate HM
1-Hydroxy-3-adamantyl methacrylate
Diapureste HADM
Identifiers:
SMILES:
C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2
InChI:
InChI=1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.31 g/mol | CAS Common Chemistry |
| 236.31099999999992 g/mol | RDKit | |
| 236.1412445 g/mol | RDKit | |
| Canonical SMILES | O=C(OC12CC3CC(CC(O)(C3)C1)C2)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OOIBFPKQHULHSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Hydroxy-1-adamantyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.1894 | RDKit |
| Molar Refractivity | 63.26880000000004 | RDKit |
