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(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
Names and Synonyms:
(Dimethoxymethylsilyl)Benzene
Benzene, (dimethoxymethylsilyl)-
Silane, dimethoxymethylphenyl-
(Dimethoxymethylsilyl)benzene
Dimethoxymethylphenylsilane
Methylphenyldimethoxysilane
Dimethoxyphenylmethylsilane
Phenylmethyldimethoxysilane
Z 6073
SM 2 (silane)
SM 2
NSC 93924
SIP 6740
SIP 6740.0
LS 2720
KBM 102
KH 1621
Identifiers:
SMILES:
CO[Si](C)(OC)c1ccccc1
InChI:
InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3
Key Properties
Boiling Point
199-200 °C
CAS Common Chemistry
Melting Point
73-75 °C
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.29 g/mol | CAS Common Chemistry |
| 182.29500000000002 g/mol | RDKit | |
| 182.076306218 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 |
| Molar Refractivity | 51.71200000000003 | RDKit |
