ethyl 4-triphenylsilylbut-2-enoate

C24H24O2Si — CID 71362828

IUPACethyl 4-triphenylsilylbut-2-enoate
SMILESCCOC(=O)C=CC[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
InChIKeyXAAQWGGCYVVVCH-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.28
Rot. Bonds7

About ethyl 4-triphenylsilylbut-2-enoate

ethyl 4-triphenylsilylbut-2-enoate (PubChem CID 71362828) has the molecular formula C24H24O2Si and a molecular weight of 372.54 g/mol. Its IUPAC name is ethyl 4-triphenylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl 4-triphenylsilylbut-2-enoate
PubChem CID71362828
Molecular FormulaC24H24O2Si
Molecular Weight372.54 g/mol
Exact Mass372.15
IUPAC Nameethyl 4-triphenylsilylbut-2-enoate
SMILESCCOC(=O)C=CC[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
InChIKeyXAAQWGGCYVVVCH-UHFFFAOYSA-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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Related Compounds

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ethyl (E)-5-methyl-6-oxo-5-phenylhex-2-enoate
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ethyl 3-(N-methylanilino)prop-2-enoate
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ethyl (Z)-4-(N-methylanilino)-4-oxobut-2-enoate
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ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
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ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
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CID 10753852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-triphenylsilylbut-2-enoate?
The IUPAC name of ethyl 4-triphenylsilylbut-2-enoate (CID 71362828) is ethyl 4-triphenylsilylbut-2-enoate.
What is the SMILES notation for ethyl 4-triphenylsilylbut-2-enoate?
The canonical SMILES for ethyl 4-triphenylsilylbut-2-enoate is CCOC(=O)C=CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 4-triphenylsilylbut-2-enoate?
The InChIKey is XAAQWGGCYVVVCH-UHFFFAOYSA-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.
What are the key properties of ethyl 4-triphenylsilylbut-2-enoate?
ethyl 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 4-triphenylsilylbut-2-enoate is sourced from PubChem (CID 71362828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).