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4-[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]Dihydro-2H-Pyran-2,6(3H)-Dione
CAS: 91424-40-7 | C11H20O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91424-40-7
Molecular Formula:
C11H20O4Si
Molecular Mass:
244.36 g/mol
Names and Synonyms:
4-[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]Dihydro-2H-Pyran-2,6(3H)-Dione
2H-Pyran-2,6(3H)-dione, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]dihydro-
4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione
3-[(tert-Butyldimethylsilyl)oxy]glutaric anhydride
Identifiers:
SMILES:
CC(C)(C)[Si](C)(C)OC1CC(=O)OC(=O)C1
InChI:
InChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3
Key Properties
Melting Point
80-81 °C @ Solvent: Hexane
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 244.36 g/mol | CAS Common Chemistry |
| 244.36299999999994 g/mol | RDKit | |
| 244.11308565 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)CC(O[Si](C)(C)C(C)(C)C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RXAJGRHLLRGVSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.2404 | RDKit |
| Molar Refractivity | 62.40300000000004 | RDKit |
