ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate

C16H20O2Si — CID 87997933

IUPACethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(/C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O2Si/c1-5-18-16(17)13-15(11-12-19(2,3)4)14-9-7-6-8-10-14/h6-10,13H,5H2,1-4H3/b15-13-
InChIKeyKKAPCZUURGWNAJ-SQFISAMPSA-N
MW272.42 g/mol
LogP3.51
Rot. Bonds3

About ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate

ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate (PubChem CID 87997933) has the molecular formula C16H20O2Si and a molecular weight of 272.42 g/mol. Its IUPAC name is ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
PubChem CID87997933
Molecular FormulaC16H20O2Si
Molecular Weight272.42 g/mol
Exact Mass272.12
IUPAC Nameethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(/C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O2Si/c1-5-18-16(17)13-15(11-12-19(2,3)4)14-9-7-6-8-10-14/h6-10,13H,5H2,1-4H3/b15-13-
InChIKeyKKAPCZUURGWNAJ-SQFISAMPSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880
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
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
ethyl (E)-3-cyano-3-(4-methylphenyl)prop-2-enoate
CID 6373114
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl 3-cyano-3-(4-hydroxyphenyl)prop-2-enoate
CID 139577862
ethyl (Z)-3-(ethylideneamino)-3-phenylprop-2-enoate
CID 178079590

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate?
The IUPAC name of ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate (CID 87997933) is ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate.
What is the SMILES notation for ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate?
The canonical SMILES for ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate is CCOC(=O)/C=C(/C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate?
The InChIKey is KKAPCZUURGWNAJ-SQFISAMPSA-N. The full InChI is InChI=1S/C16H20O2Si/c1-5-18-16(17)13-15(11-12-19(2,3)4)14-9-7-6-8-10-14/h6-10,13H,5H2,1-4H3/b15-13-.
What are the key properties of ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate?
ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate has a molecular weight of 272.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate is sourced from PubChem (CID 87997933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).