3-triethoxysilylpropyl 4-iodobenzoate

C16H25IO5Si — CID 153491390

IUPAC3-triethoxysilylpropyl 4-iodobenzoate
SMILESCCO[Si](CCCOC(=O)c1ccc(I)cc1)(OCC)OCC
InChIInChI=1S/C16H25IO5Si/c1-4-20-23(21-5-2,22-6-3)13-7-12-19-16(18)14-8-10-15(17)11-9-14/h8-11H,4-7,12-13H2,1-3H3
InChIKeyHJFBYZHNUUXHMI-UHFFFAOYSA-N
MW452.36 g/mol
LogP3.89
Rot. Bonds11

About 3-triethoxysilylpropyl 4-iodobenzoate

3-triethoxysilylpropyl 4-iodobenzoate (PubChem CID 153491390) has the molecular formula C16H25IO5Si and a molecular weight of 452.36 g/mol. Its IUPAC name is 3-triethoxysilylpropyl 4-iodobenzoate.

Molecular Properties

Compound Name3-triethoxysilylpropyl 4-iodobenzoate
PubChem CID153491390
Molecular FormulaC16H25IO5Si
Molecular Weight452.36 g/mol
Exact Mass452.05
IUPAC Name3-triethoxysilylpropyl 4-iodobenzoate
SMILESCCO[Si](CCCOC(=O)c1ccc(I)cc1)(OCC)OCC
InChIInChI=1S/C16H25IO5Si/c1-4-20-23(21-5-2,22-6-3)13-7-12-19-16(18)14-8-10-15(17)11-9-14/h8-11H,4-7,12-13H2,1-3H3
InChIKeyHJFBYZHNUUXHMI-UHFFFAOYSA-N
XLogP3.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-triethoxysilylpropyl 4-iodobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl 4-iodobenzoate
CID 68623259
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
dodecyl 4-(4-iodophenyl)benzoate
CID 121325045
3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171
3-[diethoxy(methyl)silyl]propyl pyridine-4-carboxylate
CID 68839365
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
2-[ethyl(methyl)amino]ethyl 4-iodobenzoate
CID 170392957
[3-(2-ethoxyethoxy)-3-oxopropyl] 4-iodobenzoate
CID 125468929
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
CID 11502797

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropyl 4-iodobenzoate?
The IUPAC name of 3-triethoxysilylpropyl 4-iodobenzoate (CID 153491390) is 3-triethoxysilylpropyl 4-iodobenzoate.
What is the SMILES notation for 3-triethoxysilylpropyl 4-iodobenzoate?
The canonical SMILES for 3-triethoxysilylpropyl 4-iodobenzoate is CCO[Si](CCCOC(=O)c1ccc(I)cc1)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl 4-iodobenzoate?
The InChIKey is HJFBYZHNUUXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IO5Si/c1-4-20-23(21-5-2,22-6-3)13-7-12-19-16(18)14-8-10-15(17)11-9-14/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 3-triethoxysilylpropyl 4-iodobenzoate?
3-triethoxysilylpropyl 4-iodobenzoate has a molecular weight of 452.36 g/mol, XLogP of 3.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl 4-iodobenzoate is sourced from PubChem (CID 153491390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).