About 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane
2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91740897) has the molecular formula C24H36O2Si
and a molecular weight of 384.64 g/mol. Its IUPAC name is 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane.
Molecular Properties
| Compound Name | 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane |
| PubChem CID | 91740897 |
| Molecular Formula | C24H36O2Si |
| Molecular Weight | 384.64 g/mol |
| Exact Mass | 384.25 |
| IUPAC Name | 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane |
| SMILES | CCC(O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1)C(C)C |
| InChI | InChI=1S/C24H36O2Si/c1-6-24(21(4)5)26-27(22-15-9-7-10-16-22,23-17-11-8-12-18-23)25-19-13-14-20(2)3/h7-12,15-18,20-21,24H,6,13-14,19H2,1-5H3 |
| InChIKey | RDHVKXKZQZYMDI-UHFFFAOYSA-N |
| XLogP | 5.15 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 384.64 |
| LogP ≤ 5 | 5.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane (CID 91740897) is 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane is CCC(O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is RDHVKXKZQZYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-6-24(21(4)5)26-27(22-15-9-7-10-16-22,23-17-11-8-12-18-23)25-19-13-14-20(2)3/h7-12,15-18,20-21,24H,6,13-14,19H2,1-5H3.
What are the key properties of 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane?
2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 384.64 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yloxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).