Back to Search
1,1′,1′′-(Ethoxysilylidyne)Tris[Benzene]
CAS: 1516-80-9 | C20H20OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1516-80-9
Molecular Formula:
C20H20OSi
Molecular Mass:
304.47 g/mol
Names and Synonyms:
1,1′,1′′-(Ethoxysilylidyne)Tris[Benzene]
Benzene, 1,1′,1′′-(ethoxysilylidyne)tris-
Silane, ethoxytriphenyl-
1,1′,1′′-(Ethoxysilylidyne)tris[benzene]
Triphenylethoxysilane
Ethoxytriphenylsilane
Ethyl triphenylsilyl ether
Triphenylsiliconethoxide
NSC 93020
LS 6690
Identifiers:
SMILES:
CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
Key Properties
Boiling Point
344 °C
CAS Common Chemistry
Melting Point
65 °C
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 | 304.47 g/mol | CAS Common Chemistry |
| 304.46500000000003 g/mol | RDKit | |
| 304.12834179 g/mol | RDKit | |
| Boiling Point | 344 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVJXKUWNRVOUTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | 1,1′,1′′-(Ethoxysilylidyne)tris[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.6900000000000013 | RDKit |
| Molar Refractivity | 95.60800000000005 | RDKit |
