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Butyltrimethoxysilane
CAS: 1067-57-8 | C7H18O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1067-57-8
Molecular Formula:
C7H18O3Si
Molecular Mass:
178.30 g/mol
Names and Synonyms:
Butyltrimethoxysilane
Silane, butyltrimethoxy-
Butyltrimethoxysilane
n-Butyltrimethoxysilane
AY 43-204
Dynasylan P 01080
AY 43-204M
SIB 1988
Identifiers:
SMILES:
CCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C7H18O3Si/c1-5-6-7-11(8-2,9-3)10-4/h5-7H2,1-4H3
Key Properties
Boiling Point
164-165 °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 |
| 0.931 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 164-165 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H18O3Si/c1-5-6-7-11(8-2,9-3)10-4/h5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SXPLZNMUBFBFIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.6645999999999999 | RDKit |
| Molar Refractivity | 46.49600000000002 | RDKit |
