triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane

C15H23FO5SSi — CID 90226973

IUPACtriethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane
SMILESCCO[Si](/C=C/CS(=O)(=O)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C15H23FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h7-11,13H,4-6,12H2,1-3H3/b13-7+
InChIKeyUHSPCEHJAKVRPG-NTUHNPAUSA-N
MW362.50 g/mol
LogP2.74
Rot. Bonds10

About triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane

triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane (PubChem CID 90226973) has the molecular formula C15H23FO5SSi and a molecular weight of 362.50 g/mol. Its IUPAC name is triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane.

Molecular Properties

Compound Nametriethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane
PubChem CID90226973
Molecular FormulaC15H23FO5SSi
Molecular Weight362.50 g/mol
Exact Mass362.10
IUPAC Nametriethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane
SMILESCCO[Si](/C=C/CS(=O)(=O)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C15H23FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h7-11,13H,4-6,12H2,1-3H3/b13-7+
InChIKeyUHSPCEHJAKVRPG-NTUHNPAUSA-N
XLogP2.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.74
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 triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane?
The IUPAC name of triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane (CID 90226973) is triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane.
What is the SMILES notation for triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane?
The canonical SMILES for triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane is CCO[Si](/C=C/CS(=O)(=O)c1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane?
The InChIKey is UHSPCEHJAKVRPG-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H23FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h7-11,13H,4-6,12H2,1-3H3/b13-7+.
What are the key properties of triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane?
triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane has a molecular weight of 362.50 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]silane is sourced from PubChem (CID 90226973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).