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Molecule
Pentyltriethoxysilane
CAS: 2761-24-2 · C11H26O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2761-24-2
- Molecular Formula
- C11H26O3Si
- Molecular Mass
- 234.41 g/mol
Identifiers
CAS Registry Number
2761-24-2
SMILES
CCCCC[Si](OCC)(OCC)OCC
InChI Key
FHVAUDREWWXPRW-UHFFFAOYSA-N
InChI
InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3
Names and Synonyms
- Pentyltriethoxysilane Common Name
- Silane, triethoxypentyl- Synonym
- Triethoxypentylsilane Synonym
- Amyltriethoxysilane Synonym
- A 16 Synonym
- Pentyltriethoxysilane Synonym
- LS 4230 Synonym
- A 16 (silane derivative) Synonym
- n-Pentyltriethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.41 g/mol | CAS Common Chemistry |
| 234.41199999999995 g/mol | RDKit | |
| 234.412 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.895 g/cm3 | 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 |
| 3.225 | RDKit | |
| Molar Refractivity | 64.96400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 234.16512122199998 g/mol | RDKit |
| Boiling Point | 95-96 °C @ 1.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 234.41 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H26O3Si.
