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Dodecyltriethoxysilane
CAS: 18536-91-9 | C18H40O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18536-91-9
Molecular Formula:
C18H40O3Si
Molecular Mass:
332.60 g/mol
Names and Synonyms:
Dodecyltriethoxysilane
Silane, dodecyltriethoxy-
Dodecyltriethoxysilane
1-(Triethoxysilyl)dodecane
Triethoxydodecylsilane
LS 6570
NSC 139837
n-Dodecyltriethoxysilane
S 08550
D 3383
KH 3041
Identifiers:
SMILES:
CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3
Key Properties
Boiling Point
152-153 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.88 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 | 332.60 g/mol | CAS Common Chemistry |
| 332.6010000000001 g/mol | RDKit | |
| 332.27467167 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.884 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 152-153 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGUFXEJWPRRAEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dodecyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 5.955700000000006 | RDKit |
| Molar Refractivity | 97.28300000000009 | RDKit |
