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Trihexylsilane
CAS: 2929-52-4 | C18H40Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2929-52-4
Molecular Formula:
C18H40Si
Molecular Mass:
284.60 g/mol
Names and Synonyms:
Trihexylsilane
Silane, trihexyl-
Trihexylsilane
Tri-n-hexylsilane
NSC 139856
Identifiers:
SMILES:
CCCCCC[SiH](CCCCCC)CCCCCC
InChI:
InChI=1S/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3
Key Properties
Boiling Point
160-161 °C @ Press: 5 Torr
CAS Common Chemistry
Density
0.80 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 | 284.60 g/mol | CAS Common Chemistry |
| 284.6039999999999 g/mol | RDKit | |
| 284.28992781 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.799 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 160-161 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | CCCCCC[SiH](CCCCCC)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IBNSYFQZHBBNLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trihexylsilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.954400000000007 | RDKit |
| Molar Refractivity | 93.99600000000008 | RDKit |
