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Molecule
(Dimethoxymethylsilyl)Benzene
CAS: 3027-21-2 · C9H14O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3027-21-2
- Molecular Formula
- C9H14O2Si
- Molecular Mass
- 182.29 g/mol
Identifiers
CAS Registry Number
3027-21-2
SMILES
CO[Si](C)(OC)c1ccccc1
InChI Key
CVQVSVBUMVSJES-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3
Names and Synonyms
- (Dimethoxymethylsilyl)Benzene Synonym
- Benzene, (dimethoxymethylsilyl)- Synonym
- Silane, dimethoxymethylphenyl- Synonym
- (Dimethoxymethylsilyl)benzene Synonym
- Dimethoxymethylphenylsilane Synonym
- Methylphenyldimethoxysilane Synonym
- Dimethoxyphenylmethylsilane Synonym
- Phenylmethyldimethoxysilane Synonym
- Z 6073 Synonym
- SM 2 (silane) Synonym
- SM 2 Synonym
- NSC 93924 Synonym
- SIP 6740 Synonym
- SIP 6740.0 Synonym
- LS 2720 Synonym
- KBM 102 Synonym
- KH 1621 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.29 g/mol | CAS Common Chemistry |
| 182.29500000000002 g/mol | RDKit | |
| 182.295 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.993 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 199-200 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CVQVSVBUMVSJES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73-75 °C | CAS Common Chemistry |
| Name | (Dimethoxymethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.2583999999999997 | RDKit |
| 1.2584 | RDKit | |
| Molar Refractivity | 51.71200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 182.076306218 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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 = 182.29 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
