triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane

C15H25FO5SSi — CID 90226899

IUPACtriethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane
SMILESCCO[Si](CCCS(=O)(=O)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C15H25FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3
InChIKeyVBABGKOAHOMSEB-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.04
Rot. Bonds11

About triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane

triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane (PubChem CID 90226899) has the molecular formula C15H25FO5SSi and a molecular weight of 364.51 g/mol. Its IUPAC name is triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane
PubChem CID90226899
Molecular FormulaC15H25FO5SSi
Molecular Weight364.51 g/mol
Exact Mass364.12
IUPAC Nametriethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane
SMILESCCO[Si](CCCS(=O)(=O)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C15H25FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3
InChIKeyVBABGKOAHOMSEB-UHFFFAOYSA-N
XLogP3.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.04
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-[3-(4-fluorophenyl)sulfonylpropyl]silane?
The IUPAC name of triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane (CID 90226899) is triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane.
What is the SMILES notation for triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane?
The canonical SMILES for triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane is CCO[Si](CCCS(=O)(=O)c1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane?
The InChIKey is VBABGKOAHOMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO5SSi/c1-4-19-23(20-5-2,21-6-3)13-7-12-22(17,18)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane?
triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane has a molecular weight of 364.51 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane is sourced from PubChem (CID 90226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).