ethyl (E)-4-triphenylsilylbut-2-enoate

C24H24O2Si — CID 11349290

IUPACethyl (E)-4-triphenylsilylbut-2-enoate
SMILESCCOC(=O)/C=C/C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2Si/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-19H,2,20H2,1H3/b19-12+
InChIKeyXAAQWGGCYVVVCH-XDHOZWIPSA-N
MW372.54 g/mol
LogP3.28
Rot. Bonds7

About ethyl (E)-4-triphenylsilylbut-2-enoate

ethyl (E)-4-triphenylsilylbut-2-enoate (PubChem CID 11349290) has the molecular formula C24H24O2Si and a molecular weight of 372.54 g/mol. Its IUPAC name is ethyl (E)-4-triphenylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-triphenylsilylbut-2-enoate
PubChem CID11349290
Molecular FormulaC24H24O2Si
Molecular Weight372.54 g/mol
Exact Mass372.15
IUPAC Nameethyl (E)-4-triphenylsilylbut-2-enoate
SMILESCCOC(=O)/C=C/C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2Si/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-19H,2,20H2,1H3/b19-12+
InChIKeyXAAQWGGCYVVVCH-XDHOZWIPSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-triphenylsilylbut-2-enoate?
The IUPAC name of ethyl (E)-4-triphenylsilylbut-2-enoate (CID 11349290) is ethyl (E)-4-triphenylsilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-triphenylsilylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-triphenylsilylbut-2-enoate is CCOC(=O)/C=C/C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-4-triphenylsilylbut-2-enoate?
The InChIKey is XAAQWGGCYVVVCH-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H24O2Si/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-19H,2,20H2,1H3/b19-12+.
What are the key properties of ethyl (E)-4-triphenylsilylbut-2-enoate?
ethyl (E)-4-triphenylsilylbut-2-enoate has a molecular weight of 372.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-triphenylsilylbut-2-enoate is sourced from PubChem (CID 11349290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).