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Molecule
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
Identifiers
CAS Registry Number
91424-40-7
SMILES
CC(C)(C)[Si](C)(C)OC1CC(=O)OC(=O)C1
InChI Key
RXAJGRHLLRGVSB-UHFFFAOYSA-N
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
Names and Synonyms
- 4-[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]Dihydro-2H-Pyran-2,6(3H)-Dione Synonym
- 2H-Pyran-2,6(3H)-dione, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]dihydro- Synonym
- 4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione Synonym
- 3-[(tert-Butyldimethylsilyl)oxy]glutaric anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.36 g/mol | CAS Common Chemistry |
| 244.36299999999994 g/mol | RDKit | |
| 244.363 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 244.11308565 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
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MW = 244.36 g/mol. Edit any field — others recompute live.
