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Pentyltriethoxysilane
CAS: 2761-24-2 | C11H26O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2761-24-2
Molecular Formula:
C11H26O3Si
Molecular Mass:
234.41 g/mol
Names and Synonyms:
Pentyltriethoxysilane
Silane, triethoxypentyl-
Triethoxypentylsilane
Amyltriethoxysilane
A 16
Pentyltriethoxysilane
LS 4230
A 16 (silane derivative)
n-Pentyltriethoxysilane
Identifiers:
SMILES:
CCCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3
Key Properties
Boiling Point
95-96 °C @ Press: 1.3 Torr
CAS Common Chemistry
Density
0.90 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 | 234.41 g/mol | CAS Common Chemistry |
| 234.41199999999995 g/mol | RDKit | |
| 234.16512122199998 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.895 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 95-96 °C @ Press: 1.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FHVAUDREWWXPRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.2250000000000014 | RDKit |
| Molar Refractivity | 64.96400000000006 | RDKit |
