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Dodecyltrimethoxysilane
CAS: 3069-21-4 | C15H34O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3069-21-4
Molecular Formula:
C15H34O3Si
Molecular Mass:
290.52 g/mol
Names and Synonyms:
Dodecyltrimethoxysilane
Silane, dodecyltrimethoxy-
Dodecyltrimethoxysilane
Trimethoxydodecylsilane
JH-N 3112
Lauryltrimethoxysilane
WD 10
n-Dodecyltrimethoxysilane
N 3112
SID 4635.0
KH 3112
Identifiers:
SMILES:
CCCCCCCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3
Key Properties
Boiling Point
117-118 °C @ Press: 1.25 Torr
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 | 290.52 g/mol | CAS Common Chemistry |
| 290.22772147800003 g/mol | RDKit | |
| Boiling Point | 117-118 °C @ Press: 1.25 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCPWMSBAGXEGPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dodecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.7854000000000045 | RDKit |
| Molar Refractivity | 83.43200000000007 | RDKit |
