ethyl(3-trimethoxysilylpropyl)iodanium

C8H20IO3Si+ — CID 88934242

IUPACethyl(3-trimethoxysilylpropyl)iodanium
SMILESCC[I+]CCC[Si](OC)(OC)OC
InChIInChI=1S/C8H20IO3Si/c1-5-9-7-6-8-13(10-2,11-3)12-4/h5-8H2,1-4H3/q+1
InChIKeyCARVATCSTQSOCD-UHFFFAOYSA-N
MW319.24 g/mol
LogP-1.64
Rot. Bonds8

About ethyl(3-trimethoxysilylpropyl)iodanium

ethyl(3-trimethoxysilylpropyl)iodanium (PubChem CID 88934242) has the molecular formula C8H20IO3Si+ and a molecular weight of 319.24 g/mol. Its IUPAC name is ethyl(3-trimethoxysilylpropyl)iodanium.

Molecular Properties

Compound Nameethyl(3-trimethoxysilylpropyl)iodanium
PubChem CID88934242
Molecular FormulaC8H20IO3Si+
Molecular Weight319.24 g/mol
Exact Mass319.02
IUPAC Nameethyl(3-trimethoxysilylpropyl)iodanium
SMILESCC[I+]CCC[Si](OC)(OC)OC
InChIInChI=1S/C8H20IO3Si/c1-5-9-7-6-8-13(10-2,11-3)12-4/h5-8H2,1-4H3/q+1
InChIKeyCARVATCSTQSOCD-UHFFFAOYSA-N
XLogP-1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 ethyl(3-trimethoxysilylpropyl)iodanium?
The IUPAC name of ethyl(3-trimethoxysilylpropyl)iodanium (CID 88934242) is ethyl(3-trimethoxysilylpropyl)iodanium.
What is the SMILES notation for ethyl(3-trimethoxysilylpropyl)iodanium?
The canonical SMILES for ethyl(3-trimethoxysilylpropyl)iodanium is CC[I+]CCC[Si](OC)(OC)OC.
What is the InChIKey of ethyl(3-trimethoxysilylpropyl)iodanium?
The InChIKey is CARVATCSTQSOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20IO3Si/c1-5-9-7-6-8-13(10-2,11-3)12-4/h5-8H2,1-4H3/q+1.
What are the key properties of ethyl(3-trimethoxysilylpropyl)iodanium?
ethyl(3-trimethoxysilylpropyl)iodanium has a molecular weight of 319.24 g/mol, XLogP of -1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(3-trimethoxysilylpropyl)iodanium is sourced from PubChem (CID 88934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).