Tributoxy-(4-iodo-3-methylphenyl)silane

C₁₉H₃₃IO₃Si — CID 153491523

About Tributoxy-(4-iodo-3-methylphenyl)silane

Tributoxy-(4-iodo-3-methylphenyl)silane (PubChem CID 153491523) has the molecular formula C₁₉H₃₃IO₃Si and a molecular weight of 464.46 g/mol. Its IUPAC name is tributoxy-(4-iodo-3-methylphenyl)silane.

Molecular Properties

• Compound Name: Tributoxy-(4-iodo-3-methylphenyl)silane
• PubChem CID: 153491523
• Molecular Formula: C₁₉H₃₃IO₃Si
• Molecular Weight: 464.46 g/mol
• Exact Mass: 464.12
• IUPAC Name: tributoxy-(4-iodo-3-methylphenyl)silane
• SMILES: CCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(C)c1
• InChI: InChI=1S/C19H33IO3Si/c1-5-8-13-21-24(22-14-9-6-2,23-15-10-7-3)18-11-12-19(20)17(4)16-18/h11-12,16H,5-10,13-15H2,1-4H3
• InChIKey: LTIWRASYFKRLIY-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.46
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of Tributoxy-(4-iodo-3-methylphenyl)silane?

The IUPAC name of Tributoxy-(4-iodo-3-methylphenyl)silane (CID 153491523) is tributoxy-(4-iodo-3-methylphenyl)silane.

What is the SMILES notation for Tributoxy-(4-iodo-3-methylphenyl)silane?

The canonical SMILES for Tributoxy-(4-iodo-3-methylphenyl)silane is CCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(C)c1.

What is the InChIKey of Tributoxy-(4-iodo-3-methylphenyl)silane?

The InChIKey is LTIWRASYFKRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33IO3Si/c1-5-8-13-21-24(22-14-9-6-2,23-15-10-7-3)18-11-12-19(20)17(4)16-18/h11-12,16H,5-10,13-15H2,1-4H3.

What are the key properties of Tributoxy-(4-iodo-3-methylphenyl)silane?

Tributoxy-(4-iodo-3-methylphenyl)silane has a molecular weight of 464.46 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tributoxy-(4-iodo-3-methylphenyl)silane is sourced from PubChem (CID 153491523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153491523 — identifiers, structure, computed properties (public domain)

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