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Molecule
(Diethoxymethylsilyl)Benzene
CAS: 775-56-4 · C11H18O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 775-56-4
- Molecular Formula
- C11H18O2Si
- Molecular Mass
- 210.35 g/mol
Identifiers
CAS Registry Number
775-56-4
SMILES
CCO[Si](C)(OCC)c1ccccc1
InChI Key
MNFGEHQPOWJJBH-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
Names and Synonyms
- (Diethoxymethylsilyl)Benzene Synonym
- Benzene, (diethoxymethylsilyl)- Synonym
- Silane, diethoxymethylphenyl- Synonym
- (Diethoxymethylsilyl)benzene Synonym
- Methylphenyldiethoxysilane Synonym
- Phenylmethyldiethoxysilane Synonym
- Diethoxymethylphenylsilane Synonym
- LS 3970 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.35 g/mol | CAS Common Chemistry |
| 210.34900000000002 g/mol | RDKit | |
| 210.349 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 218 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MNFGEHQPOWJJBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Diethoxymethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0386 | RDKit |
| Molar Refractivity | 60.94600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 210.107606346 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 210.35 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
