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Molecule
Triethoxy(2,4,4-Trimethylpentyl)Silane
CAS: 35435-21-3 · C14H32O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35435-21-3
- Molecular Formula
- C14H32O3Si
- Molecular Mass
- 276.49 g/mol
Identifiers
CAS Registry Number
35435-21-3
SMILES
CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC
InChI Key
UWZSHGZRSZICIW-UHFFFAOYSA-N
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
Names and Synonyms
- Triethoxy(2,4,4-Trimethylpentyl)Silane Synonym
- Silane, triethoxy(2,4,4-trimethylpentyl)- Synonym
- Triethoxy(2,4,4-trimethylpentyl)silane Synonym
- (2,4,4-Trimethylpentyl)triethoxysilane Synonym
- 1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane Synonym
- Silres BS 1701 Synonym
- BS 1701 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.49 g/mol | CAS Common Chemistry |
| 276.493 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 |
| 4.1071 | RDKit | |
| Molar Refractivity | 78.67500000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 276.212071414 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 276.49 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H32O3Si.
