3-(benzenesulfonyl)propyl-triethoxysilane

C15H26O5SSi — CID 90226898

IUPAC3-(benzenesulfonyl)propyl-triethoxysilane
SMILESCCO[Si](CCCS(=O)(=O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C15H26O5SSi/c1-4-18-22(19-5-2,20-6-3)14-10-13-21(16,17)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
InChIKeyQPAHSIUDXQGKMZ-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.90
Rot. Bonds11

About 3-(benzenesulfonyl)propyl-triethoxysilane

3-(benzenesulfonyl)propyl-triethoxysilane (PubChem CID 90226898) has the molecular formula C15H26O5SSi and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(benzenesulfonyl)propyl-triethoxysilane
PubChem CID90226898
Molecular FormulaC15H26O5SSi
Molecular Weight346.52 g/mol
Exact Mass346.13
IUPAC Name3-(benzenesulfonyl)propyl-triethoxysilane
SMILESCCO[Si](CCCS(=O)(=O)c1ccccc1)(OCC)OCC
InChIInChI=1S/C15H26O5SSi/c1-4-18-22(19-5-2,20-6-3)14-10-13-21(16,17)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
InChIKeyQPAHSIUDXQGKMZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)propyl-triethoxysilane?
The IUPAC name of 3-(benzenesulfonyl)propyl-triethoxysilane (CID 90226898) is 3-(benzenesulfonyl)propyl-triethoxysilane.
What is the SMILES notation for 3-(benzenesulfonyl)propyl-triethoxysilane?
The canonical SMILES for 3-(benzenesulfonyl)propyl-triethoxysilane is CCO[Si](CCCS(=O)(=O)c1ccccc1)(OCC)OCC.
What is the InChIKey of 3-(benzenesulfonyl)propyl-triethoxysilane?
The InChIKey is QPAHSIUDXQGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5SSi/c1-4-18-22(19-5-2,20-6-3)14-10-13-21(16,17)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3.
What are the key properties of 3-(benzenesulfonyl)propyl-triethoxysilane?
3-(benzenesulfonyl)propyl-triethoxysilane has a molecular weight of 346.52 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)propyl-triethoxysilane is sourced from PubChem (CID 90226898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).