(3,4-diiodophenyl)methyl-triethoxysilane

C13H20I2O3Si — CID 153491369

IUPAC(3,4-diiodophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1ccc(I)c(I)c1)(OCC)OCC
InChIInChI=1S/C13H20I2O3Si/c1-4-16-19(17-5-2,18-6-3)10-11-7-8-12(14)13(15)9-11/h7-9H,4-6,10H2,1-3H3
InChIKeyBYGZPIHKMZRUIB-UHFFFAOYSA-N
MW506.19 g/mol
LogP4.03
Rot. Bonds8

About (3,4-diiodophenyl)methyl-triethoxysilane

(3,4-diiodophenyl)methyl-triethoxysilane (PubChem CID 153491369) has the molecular formula C13H20I2O3Si and a molecular weight of 506.19 g/mol. Its IUPAC name is (3,4-diiodophenyl)methyl-triethoxysilane.

Molecular Properties

Compound Name(3,4-diiodophenyl)methyl-triethoxysilane
PubChem CID153491369
Molecular FormulaC13H20I2O3Si
Molecular Weight506.19 g/mol
Exact Mass505.93
IUPAC Name(3,4-diiodophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1ccc(I)c(I)c1)(OCC)OCC
InChIInChI=1S/C13H20I2O3Si/c1-4-16-19(17-5-2,18-6-3)10-11-7-8-12(14)13(15)9-11/h7-9H,4-6,10H2,1-3H3
InChIKeyBYGZPIHKMZRUIB-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.19
LogP ≤ 54.03
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 (3,4-diiodophenyl)methyl-triethoxysilane?
The IUPAC name of (3,4-diiodophenyl)methyl-triethoxysilane (CID 153491369) is (3,4-diiodophenyl)methyl-triethoxysilane.
What is the SMILES notation for (3,4-diiodophenyl)methyl-triethoxysilane?
The canonical SMILES for (3,4-diiodophenyl)methyl-triethoxysilane is CCO[Si](Cc1ccc(I)c(I)c1)(OCC)OCC.
What is the InChIKey of (3,4-diiodophenyl)methyl-triethoxysilane?
The InChIKey is BYGZPIHKMZRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20I2O3Si/c1-4-16-19(17-5-2,18-6-3)10-11-7-8-12(14)13(15)9-11/h7-9H,4-6,10H2,1-3H3.
What are the key properties of (3,4-diiodophenyl)methyl-triethoxysilane?
(3,4-diiodophenyl)methyl-triethoxysilane has a molecular weight of 506.19 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diiodophenyl)methyl-triethoxysilane is sourced from PubChem (CID 153491369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).