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Hexadecyltrimethoxysilane
CAS: 16415-12-6 | C19H42O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16415-12-6
Molecular Formula:
C19H42O3Si
Molecular Mass:
346.63 g/mol
Names and Synonyms:
Hexadecyltrimethoxysilane
Silane, hexadecyltrimethoxy-
Hexadecyltrimethoxysilane
AY 43-216MC
n-Hexadecyltrimethoxysilane
Dynasylan 9116
Silane 116
Si 116
VP-Si 116
Trimethoxyhexadecylsilane
Cetyltrimethoxysilane
Silane 25013VP
Cetyltrimethylsilane
QX 1613
KH 310
CG 1613
H 1376
SIH 5925.0
Kh 1631
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3
Key Properties
Boiling Point
155 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
-1 °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 | 346.63 g/mol | CAS Common Chemistry |
| 346.62800000000004 g/mol | RDKit | |
| 346.290321734 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 155 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RSKGMYDENCAJEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1 °C | CAS Common Chemistry |
| Name | Hexadecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.345800000000007 | RDKit |
| Molar Refractivity | 101.90000000000009 | RDKit |
