About di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane
di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane (PubChem CID 90312723) has the molecular formula C20H46OSi2
and a molecular weight of 358.76 g/mol. Its IUPAC name is di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane.
Molecular Properties
| Compound Name | di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane |
| PubChem CID | 90312723 |
| Molecular Formula | C20H46OSi2 |
| Molecular Weight | 358.76 g/mol |
| Exact Mass | 358.31 |
| IUPAC Name | di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane |
| SMILES | CCC(C)[Si](CC)(O[Si](CC)(C(C)CC)C(C)CC)C(C)CC |
| InChI | InChI=1S/C20H46OSi2/c1-11-17(7)22(15-5,18(8)12-2)21-23(16-6,19(9)13-3)20(10)14-4/h17-20H,11-16H2,1-10H3 |
| InChIKey | KLHMYIMRKIGBQL-UHFFFAOYSA-N |
| XLogP | 8.13 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 358.76 |
| LogP ≤ 5 | 8.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane?
The IUPAC name of di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane (CID 90312723) is di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane.
What is the SMILES notation for di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane?
The canonical SMILES for di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane is CCC(C)[Si](CC)(O[Si](CC)(C(C)CC)C(C)CC)C(C)CC.
What is the InChIKey of di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane?
The InChIKey is KLHMYIMRKIGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46OSi2/c1-11-17(7)22(15-5,18(8)12-2)21-23(16-6,19(9)13-3)20(10)14-4/h17-20H,11-16H2,1-10H3.
What are the key properties of di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane?
di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane has a molecular weight of 358.76 g/mol, XLogP of 8.13, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane is sourced from PubChem (CID 90312723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).