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Molecule
3-(Trimethylsilyl)-2-Propyn-1-Ol
CAS: 5272-36-6 · C6H12OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5272-36-6
- Molecular Formula
- C6H12OSi
- Molecular Mass
- 128.25 g/mol
Identifiers
CAS Registry Number
5272-36-6
SMILES
C[Si](C)(C)C#CCO
InChI Key
ZVGCJDPEKKEYES-UHFFFAOYSA-N
InChI
InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3
Names and Synonyms
- 3-(Trimethylsilyl)-2-Propyn-1-Ol Synonym
- 2-Propyn-1-ol, 3-(trimethylsilyl)- Synonym
- 3-(Trimethylsilyl)-2-propyn-1-ol Synonym
- (3-Hydroxy-1-propynyl)trimethylsilane Synonym
- 3-(Trimethylsilyl)propargyl alcohol Synonym
- 1-(Trimethylsilyl)-1-propyn-3-ol Synonym
- Hydroxymethyl(trimethylsilyl)acetylene Synonym
- NSC 617397 Synonym
- Trimethylsilylpropargyl alcohol Synonym
- 3-Trimethylsilylyprop-2-ynol 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 | 0.88 g/cm³ | CAS Common Chemistry |
| 0.875 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 170-172 °C | CAS Common Chemistry |
| Canonical SMILES | OCC#C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVGCJDPEKKEYES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63.5-65.0 °C | CAS Common Chemistry |
| Name | 3-(Trimethylsilyl)-2-propyn-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.8594999999999999 | RDKit |
| 0.8595 | RDKit | |
| Molar Refractivity | 38.2078 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...
10 ppm
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200 ppm
180
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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 = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12OSi.
