About ethyl-dimethyl-(2-phenylethoxy)silane
ethyl-dimethyl-(2-phenylethoxy)silane (PubChem CID 601572) has the molecular formula C12H20OSi
and a molecular weight of 208.38 g/mol. Its IUPAC name is ethyl-dimethyl-(2-phenylethoxy)silane.
Molecular Properties
| Compound Name | ethyl-dimethyl-(2-phenylethoxy)silane |
| PubChem CID | 601572 |
| Molecular Formula | C12H20OSi |
| Molecular Weight | 208.38 g/mol |
| Exact Mass | 208.13 |
| IUPAC Name | ethyl-dimethyl-(2-phenylethoxy)silane |
| SMILES | CC[Si](C)(C)OCCc1ccccc1 |
| InChI | InChI=1S/C12H20OSi/c1-4-14(2,3)13-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3 |
| InChIKey | TVMPSWJNSWOWEO-UHFFFAOYSA-N |
| XLogP | 3.47 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.38 |
| LogP ≤ 5 | 3.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethyl-dimethyl-(2-phenylethoxy)silane?
The IUPAC name of ethyl-dimethyl-(2-phenylethoxy)silane (CID 601572) is ethyl-dimethyl-(2-phenylethoxy)silane.
What is the SMILES notation for ethyl-dimethyl-(2-phenylethoxy)silane?
The canonical SMILES for ethyl-dimethyl-(2-phenylethoxy)silane is CC[Si](C)(C)OCCc1ccccc1.
What is the InChIKey of ethyl-dimethyl-(2-phenylethoxy)silane?
The InChIKey is TVMPSWJNSWOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-4-14(2,3)13-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3.
What are the key properties of ethyl-dimethyl-(2-phenylethoxy)silane?
ethyl-dimethyl-(2-phenylethoxy)silane has a molecular weight of 208.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-phenylethoxy)silane is sourced from PubChem (CID 601572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).