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Molecule
Trimethyl(2-Propyn-1-Yloxy)Silane
CAS: 5582-62-7 · C6H12OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5582-62-7
- Molecular Formula
- C6H12OSi
- Molecular Mass
- 128.25 g/mol
Identifiers
CAS Registry Number
5582-62-7
SMILES
C#CCO[Si](C)(C)C
InChI Key
ZZRPJWCNCLSOLR-UHFFFAOYSA-N
InChI
InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3
Names and Synonyms
- Trimethyl(2-Propyn-1-Yloxy)Silane Synonym
- Silane, trimethyl(2-propyn-1-yloxy)- Synonym
- Silane, trimethyl(2-propynyloxy)- Synonym
- Trimethyl(2-propyn-1-yloxy)silane Synonym
- Propargyl trimethylsilyl ether Synonym
- 1-(Trimethylsiloxy)-2-propyne Synonym
- Trimethyl(propargyloxy)silane Synonym
- 3-(Trimethylsilyloxy)propyne Synonym
- Trimethyl(2-propynyloxy)silane Synonym
- 3-(Trimethylsiloxy)-1-propyne Synonym
- O-(Trimethylsilyl)propargyl alcohol Synonym
- Propargyloxytrimethylsilane Synonym
- (2-Propynyloxy)trimethylsilane Synonym
- 3-(Trimethylsilyloxy)-1-propyne Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.25 g/mol | CAS Common Chemistry |
| 128.24699999999999 g/mol | RDKit | |
| 128.247 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.833 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 110-111 °C | CAS Common Chemistry |
| Canonical SMILES | C#CCO[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZRPJWCNCLSOLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethyl(2-propyn-1-yloxy)silane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.4711 | RDKit |
| Molar Refractivity | 38.13100000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 128.065741534 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 128.25 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12OSi.
