1. Primary Information
| English name: | Simethicone |
| CAS No.: | 8050-81-5 |
| Molecular formula: | C6H18O4SI3 |
| Molecular weight: | 238.46 g/mol |
| SMILES: | CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O |
| Structural class: | |
| Other identifiers: |
Phazyme 125 Simethicone |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | ≥90% | 656 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dioxosilane;methoxy-dimethyl-trimethylsilyloxysilane
4.2 InChI
InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;
4.3 InChIKey
AMTWCFIAVKBGOD-UHFFFAOYSA-N
4.4 Canonical SMILES
CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
