About diethyl-(2-ethylhexoxy)-propoxysilane
diethyl-(2-ethylhexoxy)-propoxysilane (PubChem CID 91738231) has the molecular formula C15H34O2Si
and a molecular weight of 274.52 g/mol. Its IUPAC name is diethyl-(2-ethylhexoxy)-propoxysilane.
Molecular Properties
| Compound Name | diethyl-(2-ethylhexoxy)-propoxysilane |
| PubChem CID | 91738231 |
| Molecular Formula | C15H34O2Si |
| Molecular Weight | 274.52 g/mol |
| Exact Mass | 274.23 |
| IUPAC Name | diethyl-(2-ethylhexoxy)-propoxysilane |
| SMILES | CCCCC(CC)CO[Si](CC)(CC)OCCC |
| InChI | InChI=1S/C15H34O2Si/c1-6-11-12-15(8-3)14-17-18(9-4,10-5)16-13-7-2/h15H,6-14H2,1-5H3 |
| InChIKey | IZPWNTNBEMGMMY-UHFFFAOYSA-N |
| XLogP | 5.13 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 274.52 |
| LogP ≤ 5 | 5.13 |
| 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 diethyl-(2-ethylhexoxy)-propoxysilane?
The IUPAC name of diethyl-(2-ethylhexoxy)-propoxysilane (CID 91738231) is diethyl-(2-ethylhexoxy)-propoxysilane.
What is the SMILES notation for diethyl-(2-ethylhexoxy)-propoxysilane?
The canonical SMILES for diethyl-(2-ethylhexoxy)-propoxysilane is CCCCC(CC)CO[Si](CC)(CC)OCCC.
What is the InChIKey of diethyl-(2-ethylhexoxy)-propoxysilane?
The InChIKey is IZPWNTNBEMGMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-6-11-12-15(8-3)14-17-18(9-4,10-5)16-13-7-2/h15H,6-14H2,1-5H3.
What are the key properties of diethyl-(2-ethylhexoxy)-propoxysilane?
diethyl-(2-ethylhexoxy)-propoxysilane has a molecular weight of 274.52 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethylhexoxy)-propoxysilane is sourced from PubChem (CID 91738231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).