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Silane, di-tert-butyl-
CAS: 30736-07-3 | C8H20Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30736-07-3
Molecular Formula:
C8H20Si
Molecular Weight:
144.33399999999997 g/mol
Names and Synonyms:
Silane, di-tert-butyl-
Bis(1,1-Dimethylethyl)Silane
Silane, bis(1,1-dimethylethyl)-
Bis(1,1-dimethylethyl)silane
Di-tert-butylsilane
Identifiers:
SMILES:
CC(C)(C)[SiH2]C(C)(C)C
InChI:
InChI=1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.33399999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.13342717 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.5920000000000005 | RDKit |
| molecular_mass | 144.33 g/mol | Legacy Database |
| density | 0.74 g/cm³ | Legacy Database |
| cas-boiling-point | 128 °C None | Legacy Database |
| cas-canonical-smile | CC(C)(C)[SiH2]C(C)(C)C None | Legacy Database |
| cas-density | 0.740 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZLKSBZCITVUTSN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -38 °C None | Legacy Database |
| cas-name | Bis(1,1-dimethylethyl)silane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 47.974000000000025 | RDKit |
