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Molecule
Tert-Butyldimethyl[((S)-Oxiranyl)Methoxy]Silane
CAS: 123237-62-7 · C9H20O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123237-62-7
- Molecular Formula
- C9H20O2Si
- Molecular Mass
- 188.34 g/mol
Identifiers
CAS Registry Number
123237-62-7
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1CO1
InChI Key
YANSSVVGZPNSKD-QMMMGPOBSA-N
InChI
InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1
Names and Synonyms
- Tert-Butyldimethyl[((S)-Oxiranyl)Methoxy]Silane Common Name
- Oxirane, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (2S)- Synonym
- Silane, (1,1-dimethylethyl)dimethyl(oxiranylmethoxy)-, (S)- Synonym
- Silane, (1,1-dimethylethyl)dimethyl[(2S)-oxiranylmethoxy]- Synonym
- (2S)-2-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]oxirane Synonym
- (2S)-1-O-(tert-Butyldimethylsilyl)glycidol Synonym
- tert-Butyldimethyl[((2S)-oxiran-2-yl)methoxy]silane Synonym
- tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane Synonym
- (S)-TBS-glycidol Synonym
- (S)-2-((tert-Butyldimethylsilyloxy)methyl)oxirane Synonym
- (2S)-tert-Butyldimethyl(oxiran-2-ylmethoxy)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.34 g/mol | CAS Common Chemistry |
| 188.34299999999996 g/mol | RDKit | |
| 188.343 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.87 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 195-199 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1CO[Si](C)(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YANSSVVGZPNSKD-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| 21.76 Ų | RDKit | |
| LogP | 2.407 | RDKit |
| Molar Refractivity | 52.889000000000046 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 188.12325640999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 188.34 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20O2Si.
