(2,3-diiodophenyl)-tripropoxysilane

C15H24I2O3Si — CID 153491478

IUPAC(2,3-diiodophenyl)-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)c1cccc(I)c1I
InChIInChI=1S/C15H24I2O3Si/c1-4-10-18-21(19-11-5-2,20-12-6-3)14-9-7-8-13(16)15(14)17/h7-9H,4-6,10-12H2,1-3H3
InChIKeyJSMIIGPCIIYUAO-UHFFFAOYSA-N
MW534.25 g/mol
LogP4.32
Rot. Bonds10

About (2,3-diiodophenyl)-tripropoxysilane

(2,3-diiodophenyl)-tripropoxysilane (PubChem CID 153491478) has the molecular formula C15H24I2O3Si and a molecular weight of 534.25 g/mol. Its IUPAC name is (2,3-diiodophenyl)-tripropoxysilane.

Molecular Properties

Compound Name(2,3-diiodophenyl)-tripropoxysilane
PubChem CID153491478
Molecular FormulaC15H24I2O3Si
Molecular Weight534.25 g/mol
Exact Mass533.96
IUPAC Name(2,3-diiodophenyl)-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)c1cccc(I)c1I
InChIInChI=1S/C15H24I2O3Si/c1-4-10-18-21(19-11-5-2,20-12-6-3)14-9-7-8-13(16)15(14)17/h7-9H,4-6,10-12H2,1-3H3
InChIKeyJSMIIGPCIIYUAO-UHFFFAOYSA-N
XLogP4.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.25
LogP ≤ 54.32
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 (2,3-diiodophenyl)-tripropoxysilane?
The IUPAC name of (2,3-diiodophenyl)-tripropoxysilane (CID 153491478) is (2,3-diiodophenyl)-tripropoxysilane.
What is the SMILES notation for (2,3-diiodophenyl)-tripropoxysilane?
The canonical SMILES for (2,3-diiodophenyl)-tripropoxysilane is CCCO[Si](OCCC)(OCCC)c1cccc(I)c1I.
What is the InChIKey of (2,3-diiodophenyl)-tripropoxysilane?
The InChIKey is JSMIIGPCIIYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24I2O3Si/c1-4-10-18-21(19-11-5-2,20-12-6-3)14-9-7-8-13(16)15(14)17/h7-9H,4-6,10-12H2,1-3H3.
What are the key properties of (2,3-diiodophenyl)-tripropoxysilane?
(2,3-diiodophenyl)-tripropoxysilane has a molecular weight of 534.25 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diiodophenyl)-tripropoxysilane is sourced from PubChem (CID 153491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).