About triethyl-(3-methoxy-3-methylbutoxy)silane
triethyl-(3-methoxy-3-methylbutoxy)silane (PubChem CID 12755144) has the molecular formula C12H28O2Si
and a molecular weight of 232.44 g/mol. Its IUPAC name is triethyl-(3-methoxy-3-methylbutoxy)silane.
Molecular Properties
| Compound Name | triethyl-(3-methoxy-3-methylbutoxy)silane |
| PubChem CID | 12755144 |
| Molecular Formula | C12H28O2Si |
| Molecular Weight | 232.44 g/mol |
| Exact Mass | 232.19 |
| IUPAC Name | triethyl-(3-methoxy-3-methylbutoxy)silane |
| SMILES | CC[Si](CC)(CC)OCCC(C)(C)OC |
| InChI | InChI=1S/C12H28O2Si/c1-7-15(8-2,9-3)14-11-10-12(4,5)13-6/h7-11H2,1-6H3 |
| InChIKey | DUQRVEVRICBJCU-UHFFFAOYSA-N |
| XLogP | 3.82 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 232.44 |
| LogP ≤ 5 | 3.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 triethyl-(3-methoxy-3-methylbutoxy)silane?
The IUPAC name of triethyl-(3-methoxy-3-methylbutoxy)silane (CID 12755144) is triethyl-(3-methoxy-3-methylbutoxy)silane.
What is the SMILES notation for triethyl-(3-methoxy-3-methylbutoxy)silane?
The canonical SMILES for triethyl-(3-methoxy-3-methylbutoxy)silane is CC[Si](CC)(CC)OCCC(C)(C)OC.
What is the InChIKey of triethyl-(3-methoxy-3-methylbutoxy)silane?
The InChIKey is DUQRVEVRICBJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-7-15(8-2,9-3)14-11-10-12(4,5)13-6/h7-11H2,1-6H3.
What are the key properties of triethyl-(3-methoxy-3-methylbutoxy)silane?
triethyl-(3-methoxy-3-methylbutoxy)silane has a molecular weight of 232.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(3-methoxy-3-methylbutoxy)silane is sourced from PubChem (CID 12755144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).