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Silicic Acid (H4Sio4), Tris(1,1-Dimethylethyl) Ester
CAS: 18166-43-3 | C12H28O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18166-43-3
Molecular Formula:
C12H28O4Si
Molecular Mass:
264.44 g/mol
Names and Synonyms:
Silicic Acid (H4Sio4), Tris(1,1-Dimethylethyl) Ester
Silicic acid (H4SiO4), tris(1,1-dimethylethyl) ester
Silicic acid (H4SiO4), tri-tert-butyl ester
Tri-tert-butoxysilanol
Tri-tert-butyl silicate
Tri(tert-butyloxy)silanol
NSC 243646
Tris(tert-butoxy)silanol
Identifiers:
SMILES:
CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C
InChI:
InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3
Key Properties
Boiling Point
95 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
65-66 °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 | 264.44 g/mol | CAS Common Chemistry |
| 264.438 g/mol | RDKit | |
| 264.175685906 g/mol | RDKit | |
| Boiling Point | 95 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLDBBQREZCVBMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C | CAS Common Chemistry |
| Name | Silicic acid (H4SiO4), tris(1,1-dimethylethyl) ester | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 2.8596000000000013 | RDKit |
| Molar Refractivity | 70.48680000000006 | RDKit |
