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Molecule
2-[(Trimethylsilyl)Oxy]Benzaldehyde
CAS: 1078-31-5 · C10H14O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1078-31-5
- Molecular Formula
- C10H14O2Si
- Molecular Mass
- 194.31 g/mol
Identifiers
CAS Registry Number
1078-31-5
SMILES
C[Si](C)(C)Oc1ccccc1C=O
InChI Key
GMQJTDJLZSIFQG-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2Si/c1-13(2,3)12-10-7-5-4-6-9(10)8-11/h4-8H,1-3H3
Names and Synonyms
- 2-[(Trimethylsilyl)Oxy]Benzaldehyde Synonym
- Benzaldehyde, 2-[(trimethylsilyl)oxy]- Synonym
- Benzaldehyde, o-(trimethylsiloxy)- Synonym
- 2-[(Trimethylsilyl)oxy]benzaldehyde Synonym
- 2-(Trimethylsilyloxy)benzaldehyde Synonym
- 2-(Trimethylsiloxy)benzaldehyde Synonym
- o-(Trimethylsiloxy)benzaldehyde Synonym
- 2-Trimethylsilanyloxy-benzaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.31 g/mol | CAS Common Chemistry |
| 194.30599999999998 g/mol | RDKit | |
| 194.306 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.013 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=CC=1C=CC=CC1O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O2Si/c1-13(2,3)12-10-7-5-4-6-9(10)8-11/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GMQJTDJLZSIFQG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(Trimethylsilyl)oxy]benzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.7128000000000014 | RDKit |
| 2.7128 | RDKit | |
| Molar Refractivity | 55.80350000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 194.07630621799998 g/mol | RDKit |
| Boiling Point | 142 °C @ 25 Torr | CAS Common Chemistry |
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 |
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200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 194.31 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O2Si.
