ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate

C15H20O3Si — CID 101412880

IUPACethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
SMILESCCOC(=O)/C=C(\C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H20O3Si/c1-5-18-14(16)11-13(19(2,3)4)15(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3/b13-11+
InChIKeySCJWDEGLKKFCIH-ACCUITESSA-N
MW276.41 g/mol
LogP3.24
Rot. Bonds5

About ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate

ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate (PubChem CID 101412880) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
PubChem CID101412880
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Nameethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
SMILESCCOC(=O)/C=C(\C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H20O3Si/c1-5-18-14(16)11-13(19(2,3)4)15(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3/b13-11+
InChIKeySCJWDEGLKKFCIH-ACCUITESSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.24
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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Related Compounds

diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
CID 87997933
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (Z)-3-(ethylideneamino)-3-phenylprop-2-enoate
CID 178079590
triethyl (1Z,3E)-3-phenylbuta-1,3-diene-1,2,4-tricarboxylate
CID 102274076
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
diethyl (Z)-2-[(E)-2-methyl-3-oxo-3-phenylprop-1-enyl]sulfanylbut-2-enedioate
CID 132566917

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate?
The IUPAC name of ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate (CID 101412880) is ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate is CCOC(=O)/C=C(\C(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate?
The InChIKey is SCJWDEGLKKFCIH-ACCUITESSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-5-18-14(16)11-13(19(2,3)4)15(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3/b13-11+.
What are the key properties of ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate?
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate has a molecular weight of 276.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate is sourced from PubChem (CID 101412880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).