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Molecule
1-Hexyn-1-Yltrimethylsilane
CAS: 3844-94-8 · C9H18Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3844-94-8
- Molecular Formula
- C9H18Si
- Molecular Mass
- 154.33 g/mol
Identifiers
CAS Registry Number
3844-94-8
SMILES
CCCCC#C[Si](C)(C)C
InChI Key
SFCRJYVNDZSYCT-UHFFFAOYSA-N
InChI
InChI=1S/C9H18Si/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3
Names and Synonyms
- 1-Hexyn-1-Yltrimethylsilane Synonym
- Silane, 1-hexyn-1-yltrimethyl- Synonym
- Silane, 1-hexynyltrimethyl- Synonym
- 1-Hexyn-1-yltrimethylsilane Synonym
- 1-(Trimethylsilyl)-1-hexyne Synonym
- Butyl(trimethylsilyl)acetylene Synonym
- 1-(Trimethylsilyl)-2-butylacetylene Synonym
- 1-Hexynyltrimethylsilane Synonym
- 1-Butyl-2-trimethylsilylacetylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.33 g/mol | CAS Common Chemistry |
| 154.32899999999998 g/mol | RDKit | |
| 154.329 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.770 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 155 °C | CAS Common Chemistry |
| Canonical SMILES | C(#C[Si](C)(C)C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18Si/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SFCRJYVNDZSYCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Hexyn-1-yltrimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 3.0574000000000012 | RDKit |
| 3.0574 | RDKit | |
| Molar Refractivity | 50.64700000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 154.117777106 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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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MW = 154.33 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
