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Isobutyltriethoxysilane
CAS: 17980-47-1 | C10H24O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17980-47-1
Molecular Formula:
C10H24O3Si
Molecular Mass:
220.39 g/mol
Names and Synonyms:
Isobutyltriethoxysilane
Silane, triethoxy(2-methylpropyl)-
Silane, triethoxyisobutyl-
Triethoxy(2-methylpropyl)silane
Isobutyltriethoxysilane
Dynasylan BSM 100N
Dynasylan BSM 40N
Dynasylan IBTEO
Z 6403
Triethoxyisobutylsilane
Sicong SP 205
Xiameter OFS 6403
Identifiers:
SMILES:
CCO[Si](CC(C)C)(OCC)OCC
InChI:
InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3
Key Properties
Boiling Point
190-191 °C
CAS Common Chemistry
Density
0.91 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 | 220.39 g/mol | CAS Common Chemistry |
| 220.38499999999993 g/mol | RDKit | |
| 220.14947115799998 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.910 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 190-191 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ALVYUZIFSCKIFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isobutyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.690800000000001 | RDKit |
| Molar Refractivity | 60.27700000000005 | RDKit |
