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Tris(2-Methylpropyl)Silane
CAS: 6485-81-0 | C12H28Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6485-81-0
Molecular Formula:
C12H28Si
Molecular Mass:
200.44 g/mol
Names and Synonyms:
Tris(2-Methylpropyl)Silane
Silane, tris(2-methylpropyl)-
Silane, triisobutyl-
Tris(2-methylpropyl)silane
Triisobutylsilane
Identifiers:
SMILES:
CC(C)C[SiH](CC(C)C)CC(C)C
InChI:
InChI=1S/C12H28Si/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-13H,7-9H2,1-6H3
Key Properties
Boiling Point
204-206 °C
CAS Common Chemistry
Density
0.76 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 | 200.44 g/mol | CAS Common Chemistry |
| 200.44199999999995 g/mol | RDKit | |
| 200.196027426 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.764 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 204-206 °C | CAS Common Chemistry |
| Canonical SMILES | CC(C)C[SiH](CC(C)C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H28Si/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-13H,7-9H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BORQTRQJFUNMBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-methylpropyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.181500000000003 | RDKit |
| Molar Refractivity | 66.08400000000006 | RDKit |
