ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate

C23H26O3Si — CID 10714696

IUPACethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate
SMILESC/C=C/C=C/CO[Si](/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O3Si/c1-3-5-6-13-19-26-27(20-18-23(24)25-4-2,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h3,5-18,20H,4,19H2,1-2H3/b5-3+,13-6+,20-18+
InChIKeyISMLCZBIIFYOLL-DPLQBIPTSA-N
MW378.54 g/mol
LogP3.55
Rot. Bonds9

About ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate

ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate (PubChem CID 10714696) has the molecular formula C23H26O3Si and a molecular weight of 378.54 g/mol. Its IUPAC name is ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate
PubChem CID10714696
Molecular FormulaC23H26O3Si
Molecular Weight378.54 g/mol
Exact Mass378.17
IUPAC Nameethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate
SMILESC/C=C/C=C/CO[Si](/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O3Si/c1-3-5-6-13-19-26-27(20-18-23(24)25-4-2,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h3,5-18,20H,4,19H2,1-2H3/b5-3+,13-6+,20-18+
InChIKeyISMLCZBIIFYOLL-DPLQBIPTSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.55
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate
CID 10546621
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate
CID 122397071
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
hexa-2,4-dienyl (E)-but-2-enoate
CID 139967113
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
ethyl (E)-but-2-enoate;styrene
CID 174773304

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate (CID 10714696) is ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate is C/C=C/C=C/CO[Si](/C=C/C(=O)OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate?
The InChIKey is ISMLCZBIIFYOLL-DPLQBIPTSA-N. The full InChI is InChI=1S/C23H26O3Si/c1-3-5-6-13-19-26-27(20-18-23(24)25-4-2,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h3,5-18,20H,4,19H2,1-2H3/b5-3+,13-6+,20-18+.
What are the key properties of ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate?
ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate has a molecular weight of 378.54 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate is sourced from PubChem (CID 10714696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).