About methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane
methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane (PubChem CID 10947937) has the molecular formula C23H24OSi
and a molecular weight of 344.53 g/mol. Its IUPAC name is methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane.
Molecular Properties
| Compound Name | methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane |
| PubChem CID | 10947937 |
| Molecular Formula | C23H24OSi |
| Molecular Weight | 344.53 g/mol |
| Exact Mass | 344.16 |
| IUPAC Name | methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane |
| SMILES | C=CC(C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H24OSi/c1-4-23(2,20-14-8-5-9-15-20)24-25(3,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h4-19H,1H2,2-3H3 |
| InChIKey | QWAALGCNSLEWQI-UHFFFAOYSA-N |
| XLogP | 4.49 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 344.53 |
| LogP ≤ 5 | 4.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane?
The IUPAC name of methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane (CID 10947937) is methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane.
What is the SMILES notation for methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane?
The canonical SMILES for methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane is C=CC(C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane?
The InChIKey is QWAALGCNSLEWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OSi/c1-4-23(2,20-14-8-5-9-15-20)24-25(3,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h4-19H,1H2,2-3H3.
What are the key properties of methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane?
methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane has a molecular weight of 344.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-(2-phenylbut-3-en-2-yloxy)silane is sourced from PubChem (CID 10947937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).