methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate

C17H25FO3Si — CID 71484202

IUPACmethyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate
SMILESCC[Si](CC)(CC)OC(/C=C/C(=O)OC)c1ccccc1F
InChIInChI=1S/C17H25FO3Si/c1-5-22(6-2,7-3)21-16(12-13-17(19)20-4)14-10-8-9-11-15(14)18/h8-13,16H,5-7H2,1-4H3/b13-12+
InChIKeyFUXWLECOBWWPHV-OUKQBFOZSA-N
MW324.47 g/mol
LogP4.62
Rot. Bonds8

About methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate

methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate (PubChem CID 71484202) has the molecular formula C17H25FO3Si and a molecular weight of 324.47 g/mol. Its IUPAC name is methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate
PubChem CID71484202
Molecular FormulaC17H25FO3Si
Molecular Weight324.47 g/mol
Exact Mass324.16
IUPAC Namemethyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate
SMILESCC[Si](CC)(CC)OC(/C=C/C(=O)OC)c1ccccc1F
InChIInChI=1S/C17H25FO3Si/c1-5-22(6-2,7-3)21-16(12-13-17(19)20-4)14-10-8-9-11-15(14)18/h8-13,16H,5-7H2,1-4H3/b13-12+
InChIKeyFUXWLECOBWWPHV-OUKQBFOZSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate?
The IUPAC name of methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate (CID 71484202) is methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate?
The canonical SMILES for methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate is CC[Si](CC)(CC)OC(/C=C/C(=O)OC)c1ccccc1F.
What is the InChIKey of methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate?
The InChIKey is FUXWLECOBWWPHV-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H25FO3Si/c1-5-22(6-2,7-3)21-16(12-13-17(19)20-4)14-10-8-9-11-15(14)18/h8-13,16H,5-7H2,1-4H3/b13-12+.
What are the key properties of methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate?
methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate has a molecular weight of 324.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(2-fluorophenyl)-4-triethylsilyloxybut-2-enoate is sourced from PubChem (CID 71484202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).