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Octadecyltrimethoxysilane
CAS: 3069-42-9 | C21H46O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3069-42-9
Molecular Formula:
C21H46O3Si
Molecular Mass:
374.68 g/mol
Names and Synonyms:
Octadecyltrimethoxysilane
Silane, trimethoxyoctadecyl-
Trimethoxyoctadecylsilane
Stearyltrimethoxysilane
Octadecyltrimethoxysilane
LSX 6817
TSL 8185
n-Octadecyltrimethoxysilane
TSL 8186
M 1
M 1 (silane)
AY 43-218MC
Dynasylan 9118
O 0256
KH 311
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3
Key Properties
Boiling Point
170 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
13-17 °C
CAS Common Chemistry
Density
0.89 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 | 374.68 g/mol | CAS Common Chemistry |
| 374.682 g/mol | RDKit | |
| 374.3216218619999 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octadecyltrimethoxysilane | CAS Common Chemistry |
| Boiling Point | 170 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SLYCYWCVSGPDFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13-17 °C | CAS Common Chemistry |
| Name | Octadecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 7.126000000000007 | RDKit |
| Molar Refractivity | 111.1340000000001 | RDKit |
