triiodo-(4-propan-2-ylphenyl)silane

C9H11I3Si — CID 54389567

IUPACtriiodo-(4-propan-2-ylphenyl)silane
SMILESCC(C)c1ccc([Si](I)(I)I)cc1
InChIInChI=1S/C9H11I3Si/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
InChIKeyVFQWHFNMFQBFOJ-UHFFFAOYSA-N
MW527.99 g/mol
LogP4.26
Rot. Bonds2

About triiodo-(4-propan-2-ylphenyl)silane

triiodo-(4-propan-2-ylphenyl)silane (PubChem CID 54389567) has the molecular formula C9H11I3Si and a molecular weight of 527.99 g/mol. Its IUPAC name is triiodo-(4-propan-2-ylphenyl)silane.

Molecular Properties

Compound Nametriiodo-(4-propan-2-ylphenyl)silane
PubChem CID54389567
Molecular FormulaC9H11I3Si
Molecular Weight527.99 g/mol
Exact Mass527.78
IUPAC Nametriiodo-(4-propan-2-ylphenyl)silane
SMILESCC(C)c1ccc([Si](I)(I)I)cc1
InChIInChI=1S/C9H11I3Si/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
InChIKeyVFQWHFNMFQBFOJ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.99
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 triiodo-(4-propan-2-ylphenyl)silane?
The IUPAC name of triiodo-(4-propan-2-ylphenyl)silane (CID 54389567) is triiodo-(4-propan-2-ylphenyl)silane.
What is the SMILES notation for triiodo-(4-propan-2-ylphenyl)silane?
The canonical SMILES for triiodo-(4-propan-2-ylphenyl)silane is CC(C)c1ccc([Si](I)(I)I)cc1.
What is the InChIKey of triiodo-(4-propan-2-ylphenyl)silane?
The InChIKey is VFQWHFNMFQBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11I3Si/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3.
What are the key properties of triiodo-(4-propan-2-ylphenyl)silane?
triiodo-(4-propan-2-ylphenyl)silane has a molecular weight of 527.99 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triiodo-(4-propan-2-ylphenyl)silane is sourced from PubChem (CID 54389567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).