dichloro-iodo-octylsilane

C8H17Cl2ISi — CID 154486818

IUPACdichloro-iodo-octylsilane
SMILESCCCCCCCC[Si](Cl)(Cl)I
InChIInChI=1S/C8H17Cl2ISi/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKeyFXIHLTMXGUPDMI-UHFFFAOYSA-N
MW339.12 g/mol
LogP5.20
Rot. Bonds7

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 Namedichloro-iodo-octylsilane
PubChem CID154486818
Molecular FormulaC8H17Cl2ISi
Molecular Weight339.12 g/mol
Exact Mass337.95
IUPAC Namedichloro-iodo-octylsilane
SMILESCCCCCCCC[Si](Cl)(Cl)I
InChIInChI=1S/C8H17Cl2ISi/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKeyFXIHLTMXGUPDMI-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.12
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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).