About triethoxy(3-ethylhexan-3-yl)silane
triethoxy(3-ethylhexan-3-yl)silane (PubChem CID 175030722) has the molecular formula C14H32O3Si
and a molecular weight of 276.49 g/mol. Its IUPAC name is triethoxy(3-ethylhexan-3-yl)silane.
Molecular Properties
| Compound Name | triethoxy(3-ethylhexan-3-yl)silane |
| PubChem CID | 175030722 |
| Molecular Formula | C14H32O3Si |
| Molecular Weight | 276.49 g/mol |
| Exact Mass | 276.21 |
| IUPAC Name | triethoxy(3-ethylhexan-3-yl)silane |
| SMILES | CCCC(CC)(CC)[Si](OCC)(OCC)OCC |
| InChI | InChI=1S/C14H32O3Si/c1-7-13-14(8-2,9-3)18(15-10-4,16-11-5)17-12-6/h7-13H2,1-6H3 |
| InChIKey | RZPJTSCAVVGMNY-UHFFFAOYSA-N |
| XLogP | 4.40 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 276.49 |
| LogP ≤ 5 | 4.40 |
| 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(3-ethylhexan-3-yl)silane?
The IUPAC name of triethoxy(3-ethylhexan-3-yl)silane (CID 175030722) is triethoxy(3-ethylhexan-3-yl)silane.
What is the SMILES notation for triethoxy(3-ethylhexan-3-yl)silane?
The canonical SMILES for triethoxy(3-ethylhexan-3-yl)silane is CCCC(CC)(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(3-ethylhexan-3-yl)silane?
The InChIKey is RZPJTSCAVVGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-7-13-14(8-2,9-3)18(15-10-4,16-11-5)17-12-6/h7-13H2,1-6H3.
What are the key properties of triethoxy(3-ethylhexan-3-yl)silane?
triethoxy(3-ethylhexan-3-yl)silane has a molecular weight of 276.49 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3-ethylhexan-3-yl)silane is sourced from PubChem (CID 175030722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).