About diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane
diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane (PubChem CID 91698400) has the molecular formula C15H34O2Si
and a molecular weight of 274.52 g/mol. Its IUPAC name is diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane.
Molecular Properties
| Compound Name | diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane |
| PubChem CID | 91698400 |
| Molecular Formula | C15H34O2Si |
| Molecular Weight | 274.52 g/mol |
| Exact Mass | 274.23 |
| IUPAC Name | diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane |
| SMILES | CCC(C)CO[Si](CC)(CC)OCCCC(C)C |
| InChI | InChI=1S/C15H34O2Si/c1-7-15(6)13-17-18(8-2,9-3)16-12-10-11-14(4)5/h14-15H,7-13H2,1-6H3 |
| InChIKey | JFFIKRWJKBGQJF-UHFFFAOYSA-N |
| XLogP | 4.98 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 274.52 |
| LogP ≤ 5 | 4.98 |
| 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 diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The IUPAC name of diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane (CID 91698400) is diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane.
What is the SMILES notation for diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The canonical SMILES for diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane is CCC(C)CO[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The InChIKey is JFFIKRWJKBGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-7-15(6)13-17-18(8-2,9-3)16-12-10-11-14(4)5/h14-15H,7-13H2,1-6H3.
What are the key properties of diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane has a molecular weight of 274.52 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methylbutoxy)-(4-methylpentoxy)silane is sourced from PubChem (CID 91698400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).