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Molecule
1-(Trimethylsilyl)Methanol
CAS: 3219-63-4 · C4H12OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3219-63-4
- Molecular Formula
- C4H12OSi
- Molecular Mass
- 104.23 g/mol
Identifiers
CAS Registry Number
3219-63-4
SMILES
C[Si](C)(C)CO
InChI Key
ZQKNBDOVPOZPLY-UHFFFAOYSA-N
InChI
InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3
Names and Synonyms
- 1-(Trimethylsilyl)Methanol Systematic Name
- Methanol, 1-(trimethylsilyl)- Synonym
- Methanol, (trimethylsilyl)- Synonym
- 1-(Trimethylsilyl)methanol Synonym
- (Trimethylsilyl)methanol Synonym
- Hydroxymethyltrimethylsilane Synonym
- NSC 96777 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.23 g/mol | CAS Common Chemistry |
| 104.22499999999998 g/mol | RDKit | |
| 104.225 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.826 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 121-122 °C | CAS Common Chemistry |
| Canonical SMILES | OC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQKNBDOVPOZPLY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Trimethylsilyl)methanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.8560999999999999 | RDKit |
| 0.8561 | RDKit | |
| Molar Refractivity | 30.43179999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.065741534 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 104.23 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12OSi.
