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Isobutyltrimethoxysilane
CAS: 18395-30-7 | C7H18O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18395-30-7
Molecular Formula:
C7H18O3Si
Molecular Mass:
178.30 g/mol
Names and Synonyms:
Isobutyltrimethoxysilane
Silane, trimethoxy(2-methylpropyl)-
Silane, isobutyltrimethoxy-
Trimethoxy(2-methylpropyl)silane
Isobutyltrimethoxysilane
Dynasylan BSM 40
Prosil 178
Dynasylan BSM 40N
SS 1120
Dynasylan IBT-MO
Silquest I 7810
Z 2306
AY 43-048
Isobutyltrimethoxylsilane
OFS 2306
Sil-Act ATS 100
Xiameter OFS 2306
CG 8430
Identifiers:
SMILES:
CO[Si](CC(C)C)(OC)OC
InChI:
InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3
Key Properties
Boiling Point
154 °C
CAS Common Chemistry
Density
0.93 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 | 178.30 g/mol | CAS Common Chemistry |
| 178.30399999999997 g/mol | RDKit | |
| 178.10252096600001 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.933 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYJRNCYWTVGEEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isobutyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.5204999999999997 | RDKit |
| Molar Refractivity | 46.42600000000002 | RDKit |
