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Molecule
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 Mass
- 88.23 g/mol
Identifiers
CAS Registry Number
542-91-6
SMILES
CC[SiH2]CC
InChI Key
UCXUKTLCVSGCNR-UHFFFAOYSA-N
InChI
InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3
Names and Synonyms
- Diethylsilane Common Name
- Silane, diethyl- Synonym
- Diethylsilane Synonym
- 3-Silapentane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.23 g/mol | CAS Common Chemistry |
| 88.226 g/mol | RDKit | |
| Density | 0.68 g/cm³ | CAS Common Chemistry |
| 0.683 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 57 °C | CAS Common Chemistry |
| Canonical SMILES | CC[SiH2]CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UCXUKTLCVSGCNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -134.3 °C | CAS Common Chemistry |
| Name | Diethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.0315999999999999 | RDKit |
| 1.0316 | RDKit | |
| Molar Refractivity | 29.505999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.070826914 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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Quick conversion
MW = 88.23 g/mol; density = 0.680 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12Si.
