diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane

C14H21FO4SSi — CID 90224556

IUPACdiethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
SMILESCCO[Si](C)(/C=C/CS(=O)(=O)c1ccc(F)cc1)OCC
InChIInChI=1S/C14H21FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h6-10,12H,4-5,11H2,1-3H3/b12-6+
InChIKeyGVWQFIYHWKCYPW-WUXMJOGZSA-N
MW332.47 g/mol
LogP2.84
Rot. Bonds8

About diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane

diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane (PubChem CID 90224556) has the molecular formula C14H21FO4SSi and a molecular weight of 332.47 g/mol. Its IUPAC name is diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
PubChem CID90224556
Molecular FormulaC14H21FO4SSi
Molecular Weight332.47 g/mol
Exact Mass332.09
IUPAC Namediethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
SMILESCCO[Si](C)(/C=C/CS(=O)(=O)c1ccc(F)cc1)OCC
InChIInChI=1S/C14H21FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h6-10,12H,4-5,11H2,1-3H3/b12-6+
InChIKeyGVWQFIYHWKCYPW-WUXMJOGZSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane?
The IUPAC name of diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane (CID 90224556) is diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane.
What is the SMILES notation for diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane?
The canonical SMILES for diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane is CCO[Si](C)(/C=C/CS(=O)(=O)c1ccc(F)cc1)OCC.
What is the InChIKey of diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane?
The InChIKey is GVWQFIYHWKCYPW-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H21FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h6-10,12H,4-5,11H2,1-3H3/b12-6+.
What are the key properties of diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane?
diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane has a molecular weight of 332.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane is sourced from PubChem (CID 90224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).