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1-(Trimethylsilyl)Methanol
CAS: 3219-63-4 | C4H12OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3219-63-4
Molecular Formula:
C4H12OSi
Molecular Weight:
104.22499999999998 g/mol
Names and Synonyms:
1-(Trimethylsilyl)Methanol
NSC 96777
Hydroxymethyltrimethylsilane
(Trimethylsilyl)methanol
1-(Trimethylsilyl)methanol
Methanol, (trimethylsilyl)-
Methanol, 1-(trimethylsilyl)-
Identifiers:
SMILES:
C[Si](C)(C)CO
InChI:
InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
---|
200 ppm
180
160
140
120
100
80
60
40
20
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 104.23 g/mol | Legacy Database |
density | 0.83 g/cm³ | Legacy Database |
cas-boiling-point | 121-122 °C None | Legacy Database |
cas-canonical-smile | OC[Si](C)(C)C None | Legacy Database |
cas-density | 0.826 g/cm3 @ Temp: 25 °C None | Legacy Database |
cas-inchi | InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3 None | Legacy Database |
cas-inchi-key | InChIKey=ZQKNBDOVPOZPLY-UHFFFAOYSA-N None | Legacy Database |
cas-name | 1-(Trimethylsilyl)methanol None | Legacy Database |
LogP | 0.8560999999999999 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 104.22499999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 104.065741534 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 6 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 30.43179999999998 | RDKit |