About butoxy-dibutyl-ethylsilane
butoxy-dibutyl-ethylsilane (PubChem CID 141095554) has the molecular formula C14H32OSi
and a molecular weight of 244.49 g/mol. Its IUPAC name is butoxy-dibutyl-ethylsilane.
Molecular Properties
| Compound Name | butoxy-dibutyl-ethylsilane |
| PubChem CID | 141095554 |
| Molecular Formula | C14H32OSi |
| Molecular Weight | 244.49 g/mol |
| Exact Mass | 244.22 |
| IUPAC Name | butoxy-dibutyl-ethylsilane |
| SMILES | CCCCO[Si](CC)(CCCC)CCCC |
| InChI | InChI=1S/C14H32OSi/c1-5-9-12-15-16(8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3 |
| InChIKey | BPEGTYAJJRVTGL-UHFFFAOYSA-N |
| XLogP | 5.37 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 244.49 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 butoxy-dibutyl-ethylsilane?
The IUPAC name of butoxy-dibutyl-ethylsilane (CID 141095554) is butoxy-dibutyl-ethylsilane.
What is the SMILES notation for butoxy-dibutyl-ethylsilane?
The canonical SMILES for butoxy-dibutyl-ethylsilane is CCCCO[Si](CC)(CCCC)CCCC.
What is the InChIKey of butoxy-dibutyl-ethylsilane?
The InChIKey is BPEGTYAJJRVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32OSi/c1-5-9-12-15-16(8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3.
What are the key properties of butoxy-dibutyl-ethylsilane?
butoxy-dibutyl-ethylsilane has a molecular weight of 244.49 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dibutyl-ethylsilane is sourced from PubChem (CID 141095554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).