ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate

C23H26O2Si — CID 10546621

IUPACethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate
SMILESC=CCC[Si](/C=C/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O2Si/c1-3-5-19-26(21-14-8-6-9-15-21,22-16-10-7-11-17-22)20-13-12-18-23(24)25-4-2/h3,6-18,20H,1,4-5,19H2,2H3/b18-12+,20-13+
InChIKeyAJZGVWNCVZQFPT-HWFDSFFDSA-N
MW362.55 g/mol
LogP4.04
Rot. Bonds9

About ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate

ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate (PubChem CID 10546621) has the molecular formula C23H26O2Si and a molecular weight of 362.55 g/mol. Its IUPAC name is ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate
PubChem CID10546621
Molecular FormulaC23H26O2Si
Molecular Weight362.55 g/mol
Exact Mass362.17
IUPAC Nameethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate
SMILESC=CCC[Si](/C=C/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O2Si/c1-3-5-19-26(21-14-8-6-9-15-21,22-16-10-7-11-17-22)20-13-12-18-23(24)25-4-2/h3,6-18,20H,1,4-5,19H2,2H3/b18-12+,20-13+
InChIKeyAJZGVWNCVZQFPT-HWFDSFFDSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
CID 10709670
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate
CID 10714696
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
ethyl (E)-but-2-enoate;styrene
CID 174773304
4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
(2E,4E)-6-ethoxy-6-oxohexa-2,4-dienoic acid
CID 15576075
ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate (CID 10546621) is ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate is C=CCC[Si](/C=C/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate?
The InChIKey is AJZGVWNCVZQFPT-HWFDSFFDSA-N. The full InChI is InChI=1S/C23H26O2Si/c1-3-5-19-26(21-14-8-6-9-15-21,22-16-10-7-11-17-22)20-13-12-18-23(24)25-4-2/h3,6-18,20H,1,4-5,19H2,2H3/b18-12+,20-13+.
What are the key properties of ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate?
ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate has a molecular weight of 362.55 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate is sourced from PubChem (CID 10546621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).