About dichloro-iodo-octylsilane
dichloro-iodo-octylsilane (PubChem CID 154486818) has the molecular formula C8H17Cl2ISi
and a molecular weight of 339.12 g/mol. Its IUPAC name is dichloro-iodo-octylsilane.
Molecular Properties
| Compound Name | dichloro-iodo-octylsilane |
| PubChem CID | 154486818 |
| Molecular Formula | C8H17Cl2ISi |
| Molecular Weight | 339.12 g/mol |
| Exact Mass | 337.95 |
| IUPAC Name | dichloro-iodo-octylsilane |
| SMILES | CCCCCCCC[Si](Cl)(Cl)I |
| InChI | InChI=1S/C8H17Cl2ISi/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3 |
| InChIKey | FXIHLTMXGUPDMI-UHFFFAOYSA-N |
| XLogP | 5.20 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 7 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 339.12 |
| LogP ≤ 5 | 5.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dichloro-iodo-octylsilane?
The IUPAC name of dichloro-iodo-octylsilane (CID 154486818) is dichloro-iodo-octylsilane.
What is the SMILES notation for dichloro-iodo-octylsilane?
The canonical SMILES for dichloro-iodo-octylsilane is CCCCCCCC[Si](Cl)(Cl)I.
What is the InChIKey of dichloro-iodo-octylsilane?
The InChIKey is FXIHLTMXGUPDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2ISi/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3.
What are the key properties of dichloro-iodo-octylsilane?
dichloro-iodo-octylsilane has a molecular weight of 339.12 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-iodo-octylsilane is sourced from PubChem (CID 154486818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).