phenyl-(3-trimethoxysilylphenyl)iodanium

C15H18IO3Si+ — CID 88934245

IUPACphenyl-(3-trimethoxysilylphenyl)iodanium
SMILESCO[Si](OC)(OC)c1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C15H18IO3Si/c1-17-20(18-2,19-3)15-11-7-10-14(12-15)16-13-8-5-4-6-9-13/h4-12H,1-3H3/q+1
InChIKeyPCVHPKREMYDZPM-UHFFFAOYSA-N
MW401.30 g/mol
LogP-1.10
Rot. Bonds6

About phenyl-(3-trimethoxysilylphenyl)iodanium

phenyl-(3-trimethoxysilylphenyl)iodanium (PubChem CID 88934245) has the molecular formula C15H18IO3Si+ and a molecular weight of 401.30 g/mol. Its IUPAC name is phenyl-(3-trimethoxysilylphenyl)iodanium.

Molecular Properties

Compound Namephenyl-(3-trimethoxysilylphenyl)iodanium
PubChem CID88934245
Molecular FormulaC15H18IO3Si+
Molecular Weight401.30 g/mol
Exact Mass401.01
IUPAC Namephenyl-(3-trimethoxysilylphenyl)iodanium
SMILESCO[Si](OC)(OC)c1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C15H18IO3Si/c1-17-20(18-2,19-3)15-11-7-10-14(12-15)16-13-8-5-4-6-9-13/h4-12H,1-3H3/q+1
InChIKeyPCVHPKREMYDZPM-UHFFFAOYSA-N
XLogP-1.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-trimethoxysilylphenyl)iodanium?
The IUPAC name of phenyl-(3-trimethoxysilylphenyl)iodanium (CID 88934245) is phenyl-(3-trimethoxysilylphenyl)iodanium.
What is the SMILES notation for phenyl-(3-trimethoxysilylphenyl)iodanium?
The canonical SMILES for phenyl-(3-trimethoxysilylphenyl)iodanium is CO[Si](OC)(OC)c1cccc([I+]c2ccccc2)c1.
What is the InChIKey of phenyl-(3-trimethoxysilylphenyl)iodanium?
The InChIKey is PCVHPKREMYDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IO3Si/c1-17-20(18-2,19-3)15-11-7-10-14(12-15)16-13-8-5-4-6-9-13/h4-12H,1-3H3/q+1.
What are the key properties of phenyl-(3-trimethoxysilylphenyl)iodanium?
phenyl-(3-trimethoxysilylphenyl)iodanium has a molecular weight of 401.30 g/mol, XLogP of -1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-trimethoxysilylphenyl)iodanium is sourced from PubChem (CID 88934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).