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Octyltrimethoxysilane
CAS: 3069-40-7 | C11H26O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3069-40-7
Molecular Formula:
C11H26O3Si
Molecular Mass:
234.41 g/mol
Names and Synonyms:
Octyltrimethoxysilane
Silane, trimethoxyoctyl-
Trimethoxyoctylsilane
Octyltrimethoxysilane
XC 95-738
n-Octyltrimethoxysilane
Silan 108
Dynasylan OCTMO
KBM 3083
Si 108
JH-N 318
Sil-Act ATS 100LV
Sil-Act ATS 42NS
Sil-Act ATS 42A
Sil-Act ATS 22
CG-N 813
SIO 6715.5
Identifiers:
SMILES:
CCCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3
Key Properties
Boiling Point
191-192 °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 | 234.41 g/mol | CAS Common Chemistry |
| 234.41199999999998 g/mol | RDKit | |
| 234.16512122199998 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.907 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 191-192 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NMEPHPOFYLLFTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octyltrimethoxysilane | 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 |
