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Diethylsilane
CAS: 542-91-6 | C4H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
542-91-6
Molecular Formula:
C4H12Si
Molecular Weight:
88.226 g/mol
Names and Synonyms:
Diethylsilane
Common Name
3-Silapentane
Synonym
Diethylsilane
Synonym
Silane, diethyl-
Synonym
Identifiers:
SMILES:
CC[SiH2]CC
InChI:
InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-canonical-smile | CC[SiH2]CC None | Legacy Database |
| cas-density | 0.683 g/cm3 None | Legacy Database |
| molecular_mass | 88.23 g/mol | Legacy Database |
| density | 0.68 g/cm³ | Legacy Database |
| cas-boiling-point | 57 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UCXUKTLCVSGCNR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -134.3 °C None | Legacy Database |
| cas-name | Diethylsilane None | Legacy Database |
| LogP | 1.0315999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.226 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.070826914 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.505999999999986 | RDKit |