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Molecule
Tris(2-Methylpropyl)Silane
CAS: 6485-81-0 · C12H28Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6485-81-0
- Molecular Formula
- C12H28Si
- Molecular Mass
- 200.44 g/mol
Identifiers
CAS Registry Number
6485-81-0
SMILES
CC(C)C[SiH](CC(C)C)CC(C)C
InChI Key
BORQTRQJFUNMBC-UHFFFAOYSA-N
InChI
InChI=1S/C12H28Si/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-13H,7-9H2,1-6H3
Names and Synonyms
- Tris(2-Methylpropyl)Silane Synonym
- Silane, tris(2-methylpropyl)- Synonym
- Silane, triisobutyl- Synonym
- Tris(2-methylpropyl)silane Synonym
- Triisobutylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.44 g/mol | CAS Common Chemistry |
| 200.44199999999995 g/mol | RDKit | |
| 200.442 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 |
| 4.1815 | RDKit | |
| Molar Refractivity | 66.08400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 200.196027426 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 200.44 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
