About trichloro(2-methylpentan-2-yloxy)silane
trichloro(2-methylpentan-2-yloxy)silane (PubChem CID 87576622) has the molecular formula C6H13Cl3OSi
and a molecular weight of 235.61 g/mol. Its IUPAC name is trichloro(2-methylpentan-2-yloxy)silane.
Molecular Properties
| Compound Name | trichloro(2-methylpentan-2-yloxy)silane |
| PubChem CID | 87576622 |
| Molecular Formula | C6H13Cl3OSi |
| Molecular Weight | 235.61 g/mol |
| Exact Mass | 233.98 |
| IUPAC Name | trichloro(2-methylpentan-2-yloxy)silane |
| SMILES | CCCC(C)(C)O[Si](Cl)(Cl)Cl |
| InChI | InChI=1S/C6H13Cl3OSi/c1-4-5-6(2,3)10-11(7,8)9/h4-5H2,1-3H3 |
| InChIKey | FEXAODDYPVICDS-UHFFFAOYSA-N |
| XLogP | 3.73 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.61 |
| LogP ≤ 5 | 3.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trichloro(2-methylpentan-2-yloxy)silane?
The IUPAC name of trichloro(2-methylpentan-2-yloxy)silane (CID 87576622) is trichloro(2-methylpentan-2-yloxy)silane.
What is the SMILES notation for trichloro(2-methylpentan-2-yloxy)silane?
The canonical SMILES for trichloro(2-methylpentan-2-yloxy)silane is CCCC(C)(C)O[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(2-methylpentan-2-yloxy)silane?
The InChIKey is FEXAODDYPVICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl3OSi/c1-4-5-6(2,3)10-11(7,8)9/h4-5H2,1-3H3.
What are the key properties of trichloro(2-methylpentan-2-yloxy)silane?
trichloro(2-methylpentan-2-yloxy)silane has a molecular weight of 235.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(2-methylpentan-2-yloxy)silane is sourced from PubChem (CID 87576622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).