(2,6-diiodophenyl)-triethoxysilane

C12H18I2O3Si — CID 153491328

IUPAC(2,6-diiodophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1c(I)cccc1I
InChIInChI=1S/C12H18I2O3Si/c1-4-15-18(16-5-2,17-6-3)12-10(13)8-7-9-11(12)14/h7-9H,4-6H2,1-3H3
InChIKeyVQDXFHMZPASPOM-UHFFFAOYSA-N
MW492.17 g/mol
LogP3.15
Rot. Bonds7

About (2,6-diiodophenyl)-triethoxysilane

(2,6-diiodophenyl)-triethoxysilane (PubChem CID 153491328) has the molecular formula C12H18I2O3Si and a molecular weight of 492.17 g/mol. Its IUPAC name is (2,6-diiodophenyl)-triethoxysilane.

Molecular Properties

Compound Name(2,6-diiodophenyl)-triethoxysilane
PubChem CID153491328
Molecular FormulaC12H18I2O3Si
Molecular Weight492.17 g/mol
Exact Mass491.91
IUPAC Name(2,6-diiodophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1c(I)cccc1I
InChIInChI=1S/C12H18I2O3Si/c1-4-15-18(16-5-2,17-6-3)12-10(13)8-7-9-11(12)14/h7-9H,4-6H2,1-3H3
InChIKeyVQDXFHMZPASPOM-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.17
LogP ≤ 53.15
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 (2,6-diiodophenyl)-triethoxysilane?
The IUPAC name of (2,6-diiodophenyl)-triethoxysilane (CID 153491328) is (2,6-diiodophenyl)-triethoxysilane.
What is the SMILES notation for (2,6-diiodophenyl)-triethoxysilane?
The canonical SMILES for (2,6-diiodophenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1c(I)cccc1I.
What is the InChIKey of (2,6-diiodophenyl)-triethoxysilane?
The InChIKey is VQDXFHMZPASPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18I2O3Si/c1-4-15-18(16-5-2,17-6-3)12-10(13)8-7-9-11(12)14/h7-9H,4-6H2,1-3H3.
What are the key properties of (2,6-diiodophenyl)-triethoxysilane?
(2,6-diiodophenyl)-triethoxysilane has a molecular weight of 492.17 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diiodophenyl)-triethoxysilane is sourced from PubChem (CID 153491328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).