(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid

C9H20O6SSi — CID 101254113

IUPAC(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid
SMILESCCO[Si](/C=C/CS(=O)(=O)O)(OCC)OCC
InChIInChI=1S/C9H20O6SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-16(10,11)12/h7,9H,4-6,8H2,1-3H3,(H,10,11,12)/b9-7+
InChIKeyFXRVEMKDHCVJMV-VQHVLOKHSA-N
MW284.41 g/mol
LogP1.02
Rot. Bonds9

About (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid

(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid (PubChem CID 101254113) has the molecular formula C9H20O6SSi and a molecular weight of 284.41 g/mol. Its IUPAC name is (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid
PubChem CID101254113
Molecular FormulaC9H20O6SSi
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid
SMILESCCO[Si](/C=C/CS(=O)(=O)O)(OCC)OCC
InChIInChI=1S/C9H20O6SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-16(10,11)12/h7,9H,4-6,8H2,1-3H3,(H,10,11,12)/b9-7+
InChIKeyFXRVEMKDHCVJMV-VQHVLOKHSA-N
XLogP1.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid?
The IUPAC name of (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid (CID 101254113) is (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid.
What is the SMILES notation for (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid?
The canonical SMILES for (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid is CCO[Si](/C=C/CS(=O)(=O)O)(OCC)OCC.
What is the InChIKey of (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid?
The InChIKey is FXRVEMKDHCVJMV-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H20O6SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-16(10,11)12/h7,9H,4-6,8H2,1-3H3,(H,10,11,12)/b9-7+.
What are the key properties of (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid?
(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid has a molecular weight of 284.41 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-triethoxysilylprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 101254113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).