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Molecule
1,1-Dimethyl-1-Phenylsilanol
CAS: 5272-18-4 · C8H12OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5272-18-4
- Molecular Formula
- C8H12OSi
- Molecular Mass
- 152.27 g/mol
Identifiers
CAS Registry Number
5272-18-4
SMILES
C[Si](C)(O)c1ccccc1
InChI Key
FDTBETCIPGWBHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12OSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7,9H,1-2H3
Names and Synonyms
- 1,1-Dimethyl-1-Phenylsilanol Synonym
- Silanol, 1,1-dimethyl-1-phenyl- Synonym
- Silanol, dimethylphenyl- Synonym
- 1,1-Dimethyl-1-phenylsilanol Synonym
- Dimethylphenylsilanol Synonym
- Phenyldimethylsilanol Synonym
- Hydroxydimethylphenylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.27 g/mol | CAS Common Chemistry |
| 152.26899999999998 g/mol | RDKit | |
| 152.269 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.990 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O[Si](C=1C=CC=CC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12OSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FDTBETCIPGWBHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethyl-1-phenylsilanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.091 | RDKit |
| Molar Refractivity | 45.77680000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 152.06574153399998 g/mol | RDKit |
| Boiling Point | 101-101.5 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
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 = 152.27 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
