(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium

C17H20IO2Si+ — CID 10897001

IUPAC(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium
SMILESCOC(=O)c1ccc([Si](C)(C)C)c([I+]c2ccccc2)c1
InChIInChI=1S/C17H20IO2Si/c1-20-17(19)13-10-11-16(21(2,3)4)15(12-13)18-14-8-6-5-7-9-14/h5-12H,1-4H3/q+1
InChIKeyFDBRPVHKVIPNQC-UHFFFAOYSA-N
MW411.34 g/mol
LogP0.15
Rot. Bonds4

About (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium

(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium (PubChem CID 10897001) has the molecular formula C17H20IO2Si+ and a molecular weight of 411.34 g/mol. Its IUPAC name is (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium.

Molecular Properties

Compound Name(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium
PubChem CID10897001
Molecular FormulaC17H20IO2Si+
Molecular Weight411.34 g/mol
Exact Mass411.03
IUPAC Name(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium
SMILESCOC(=O)c1ccc([Si](C)(C)C)c([I+]c2ccccc2)c1
InChIInChI=1S/C17H20IO2Si/c1-20-17(19)13-10-11-16(21(2,3)4)15(12-13)18-14-8-6-5-7-9-14/h5-12H,1-4H3/q+1
InChIKeyFDBRPVHKVIPNQC-UHFFFAOYSA-N
XLogP0.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium?
The IUPAC name of (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium (CID 10897001) is (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium.
What is the SMILES notation for (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium?
The canonical SMILES for (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium is COC(=O)c1ccc([Si](C)(C)C)c([I+]c2ccccc2)c1.
What is the InChIKey of (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium?
The InChIKey is FDBRPVHKVIPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IO2Si/c1-20-17(19)13-10-11-16(21(2,3)4)15(12-13)18-14-8-6-5-7-9-14/h5-12H,1-4H3/q+1.
What are the key properties of (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium?
(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium has a molecular weight of 411.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium is sourced from PubChem (CID 10897001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).