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4-[(Trimethylsilyl)Oxy]Benzaldehyde
CAS: 1012-12-0 | C10H14O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1012-12-0
Molecular Formula:
C10H14O2Si
Molecular Mass:
194.31 g/mol
Names and Synonyms:
4-[(Trimethylsilyl)Oxy]Benzaldehyde
Benzaldehyde, 4-[(trimethylsilyl)oxy]-
Benzaldehyde, p-(trimethylsiloxy)-
4-[(Trimethylsilyl)oxy]benzaldehyde
4-Trimethylsiloxybenzaldehyde
4-(Trimethylsilyloxy)benzaldehyde
p-[(Trimethylsilyl)oxy]benzaldehyde
Identifiers:
SMILES:
C[Si](C)(C)Oc1ccc(C=O)cc1
InChI:
InChI=1S/C10H14O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h4-8H,1-3H3
Key Properties
Boiling Point
83-84 °C @ Press: 3 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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 |
|---|
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 | 194.31 g/mol | CAS Common Chemistry |
| 194.30599999999998 g/mol | RDKit | |
| 194.07630621799998 g/mol | RDKit | |
| Boiling Point | 83-84 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(O[Si](C)(C)C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FLVQNLXVIRUAPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-[(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 | 2.7128000000000005 | RDKit |
| Molar Refractivity | 55.803500000000035 | RDKit |
