(3,5-diiodophenyl)-diethoxy-phenylsilane

C16H18I2O2Si — CID 153491530

IUPAC(3,5-diiodophenyl)-diethoxy-phenylsilane
SMILESCCO[Si](OCC)(c1ccccc1)c1cc(I)cc(I)c1
InChIInChI=1S/C16H18I2O2Si/c1-3-19-21(20-4-2,15-8-6-5-7-9-15)16-11-13(17)10-14(18)12-16/h5-12H,3-4H2,1-2H3
InChIKeyNUAIIDIFPRBHMI-UHFFFAOYSA-N
MW524.21 g/mol
LogP3.53
Rot. Bonds6

About (3,5-diiodophenyl)-diethoxy-phenylsilane

(3,5-diiodophenyl)-diethoxy-phenylsilane (PubChem CID 153491530) has the molecular formula C16H18I2O2Si and a molecular weight of 524.21 g/mol. Its IUPAC name is (3,5-diiodophenyl)-diethoxy-phenylsilane.

Molecular Properties

Compound Name(3,5-diiodophenyl)-diethoxy-phenylsilane
PubChem CID153491530
Molecular FormulaC16H18I2O2Si
Molecular Weight524.21 g/mol
Exact Mass523.92
IUPAC Name(3,5-diiodophenyl)-diethoxy-phenylsilane
SMILESCCO[Si](OCC)(c1ccccc1)c1cc(I)cc(I)c1
InChIInChI=1S/C16H18I2O2Si/c1-3-19-21(20-4-2,15-8-6-5-7-9-15)16-11-13(17)10-14(18)12-16/h5-12H,3-4H2,1-2H3
InChIKeyNUAIIDIFPRBHMI-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.21
LogP ≤ 53.53
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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Related Compounds

diethoxy-(4-methylphenyl)-phenylsilane
CID 68659610
ethoxy-iodo-methyl-phenylsilane
CID 154486985
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
ethane;triethoxy(phenyl)silane
CID 174836592
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
[diethoxy(phenyl)silyl]oxy-diethoxy-phenylsilane
CID 14533277
bis(ethylperoxy)-diphenylsilane
CID 159123691
diethoxy-phenyl-sulfanylsilane
CID 141237181
fluorosilane;triethoxy(phenyl)silane
CID 174494490
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
boric acid;triethoxy(phenyl)silane
CID 174800585

Frequently Asked Questions

What is the IUPAC name of (3,5-diiodophenyl)-diethoxy-phenylsilane?
The IUPAC name of (3,5-diiodophenyl)-diethoxy-phenylsilane (CID 153491530) is (3,5-diiodophenyl)-diethoxy-phenylsilane.
What is the SMILES notation for (3,5-diiodophenyl)-diethoxy-phenylsilane?
The canonical SMILES for (3,5-diiodophenyl)-diethoxy-phenylsilane is CCO[Si](OCC)(c1ccccc1)c1cc(I)cc(I)c1.
What is the InChIKey of (3,5-diiodophenyl)-diethoxy-phenylsilane?
The InChIKey is NUAIIDIFPRBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I2O2Si/c1-3-19-21(20-4-2,15-8-6-5-7-9-15)16-11-13(17)10-14(18)12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of (3,5-diiodophenyl)-diethoxy-phenylsilane?
(3,5-diiodophenyl)-diethoxy-phenylsilane has a molecular weight of 524.21 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diiodophenyl)-diethoxy-phenylsilane is sourced from PubChem (CID 153491530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).