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(Diethoxymethylsilyl)Benzene
CAS: 775-56-4 | C11H18O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
775-56-4
Molecular Formula:
C11H18O2Si
Molecular Mass:
210.35 g/mol
Names and Synonyms:
(Diethoxymethylsilyl)Benzene
Benzene, (diethoxymethylsilyl)-
Silane, diethoxymethylphenyl-
(Diethoxymethylsilyl)benzene
Methylphenyldiethoxysilane
Phenylmethyldiethoxysilane
Diethoxymethylphenylsilane
LS 3970
Identifiers:
SMILES:
CCO[Si](C)(OCC)c1ccccc1
InChI:
InChI=1S/C11H18O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
Key Properties
Boiling Point
218 °C
CAS Common Chemistry
Density
0.96 g/cm³
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 | 210.35 g/mol | CAS Common Chemistry |
| 210.34900000000002 g/mol | RDKit | |
| 210.107606346 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 218 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MNFGEHQPOWJJBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Diethoxymethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0386 | RDKit |
| Molar Refractivity | 60.94600000000004 | RDKit |
