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Diphenyldiethoxysilane
CAS: 2553-19-7 | C16H20O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2553-19-7
Molecular Formula:
C16H20O2Si
Molecular Mass:
272.42 g/mol
Names and Synonyms:
Diphenyldiethoxysilane
Benzene, 1,1′-(diethoxysilylene)bis-
Silane, diethoxydiphenyl-
1,1′-(Diethoxysilylene)bis[benzene]
Diphenyldiethoxysilane
Diethoxydiphenylsilane
KBM 202LS5990
TSL 8177
NSC 77127
KEB 202
LS 5990
KBE 202
Identifiers:
SMILES:
CCO[Si](OCC)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
Key Properties
Boiling Point
167 °C
CAS Common Chemistry
Density
1.03 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 | 272.42 g/mol | CAS Common Chemistry |
| 272.12325641 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.032 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 167 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZNQQQWFKKTOSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyldiethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.3160000000000007 | RDKit |
| Molar Refractivity | 81.15800000000004 | RDKit |
