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Triethoxy(2,4,4-Trimethylpentyl)Silane
CAS: 35435-21-3 | C14H32O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35435-21-3
Molecular Formula:
C14H32O3Si
Molecular Mass:
276.49 g/mol
Names and Synonyms:
Triethoxy(2,4,4-Trimethylpentyl)Silane
Silane, triethoxy(2,4,4-trimethylpentyl)-
Triethoxy(2,4,4-trimethylpentyl)silane
(2,4,4-Trimethylpentyl)triethoxysilane
1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane
Silres BS 1701
BS 1701
Identifiers:
SMILES:
CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC
InChI:
InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3
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 | 276.49 g/mol | CAS Common Chemistry |
| 276.493 g/mol | RDKit | |
| 276.212071414 g/mol | RDKit | |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CC(C)CC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UWZSHGZRSZICIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triethoxy(2,4,4-trimethylpentyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.1071000000000035 | RDKit |
| Molar Refractivity | 78.67500000000007 | RDKit |
