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Molecule
Trimethylphenoxysilane
CAS: 1529-17-5 · C9H14OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1529-17-5
- Molecular Formula
- C9H14OSi
- Molecular Mass
- 166.30 g/mol
Identifiers
CAS Registry Number
1529-17-5
SMILES
C[Si](C)(C)Oc1ccccc1
InChI Key
OJAJJFGMKAZGRZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3
Names and Synonyms
- Trimethylphenoxysilane Synonym
- Benzene, [(trimethylsilyl)oxy]- Synonym
- Silane, trimethylphenoxy- Synonym
- [(Trimethylsilyl)oxy]benzene Synonym
- Trimethylphenoxysilane Synonym
- O-(Trimethylsilyl)phenol Synonym
- Phenoxytrimethylsilane Synonym
- (Trimethylsiloxy)benzene Synonym
- Trimethylsilyl phenyl ether Synonym
- Phenyl trimethylsilyl ether Synonym
- Phenol trimethylsilyl ether Synonym
- Trimethylsilicon phenoxide Synonym
- Dow Corning TMSP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.30 g/mol | CAS Common Chemistry |
| 166.296 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.920 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 119 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H14OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OJAJJFGMKAZGRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -55 °C | CAS Common Chemistry |
| Name | Trimethylphenoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.9003000000000014 | RDKit |
| 2.9003 | RDKit | |
| Molar Refractivity | 50.41600000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 166.08139159799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 166.30 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
