About triethoxy(5-methylhexan-3-yl)silane
triethoxy(5-methylhexan-3-yl)silane (PubChem CID 175575145) has the molecular formula C13H30O3Si
and a molecular weight of 262.47 g/mol. Its IUPAC name is triethoxy(5-methylhexan-3-yl)silane.
Molecular Properties
| Compound Name | triethoxy(5-methylhexan-3-yl)silane |
| PubChem CID | 175575145 |
| Molecular Formula | C13H30O3Si |
| Molecular Weight | 262.47 g/mol |
| Exact Mass | 262.20 |
| IUPAC Name | triethoxy(5-methylhexan-3-yl)silane |
| SMILES | CCO[Si](OCC)(OCC)C(CC)CC(C)C |
| InChI | InChI=1S/C13H30O3Si/c1-7-13(11-12(5)6)17(14-8-2,15-9-3)16-10-4/h12-13H,7-11H2,1-6H3 |
| InChIKey | RWWVKIPATBECCR-UHFFFAOYSA-N |
| XLogP | 3.86 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 262.47 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 triethoxy(5-methylhexan-3-yl)silane?
The IUPAC name of triethoxy(5-methylhexan-3-yl)silane (CID 175575145) is triethoxy(5-methylhexan-3-yl)silane.
What is the SMILES notation for triethoxy(5-methylhexan-3-yl)silane?
The canonical SMILES for triethoxy(5-methylhexan-3-yl)silane is CCO[Si](OCC)(OCC)C(CC)CC(C)C.
What is the InChIKey of triethoxy(5-methylhexan-3-yl)silane?
The InChIKey is RWWVKIPATBECCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-7-13(11-12(5)6)17(14-8-2,15-9-3)16-10-4/h12-13H,7-11H2,1-6H3.
What are the key properties of triethoxy(5-methylhexan-3-yl)silane?
triethoxy(5-methylhexan-3-yl)silane has a molecular weight of 262.47 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(5-methylhexan-3-yl)silane is sourced from PubChem (CID 175575145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).