(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one

C29H24OSi — CID 15681857

IUPAC(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24OSi/c30-29(24-14-13-17-25-15-5-1-6-16-25)31(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-24H/b17-13+,24-14+
InChIKeyLVMXWACJNNFNHX-LEORQAMQSA-N
MW416.60 g/mol
LogP4.53
Rot. Bonds7

About (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one

(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one (PubChem CID 15681857) has the molecular formula C29H24OSi and a molecular weight of 416.60 g/mol. Its IUPAC name is (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one
PubChem CID15681857
Molecular FormulaC29H24OSi
Molecular Weight416.60 g/mol
Exact Mass416.16
IUPAC Name(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24OSi/c30-29(24-14-13-17-25-15-5-1-6-16-25)31(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-24H/b17-13+,24-14+
InChIKeyLVMXWACJNNFNHX-LEORQAMQSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bis(dibenzylideneacetone)palladium
CID 9811564
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium
CID 6505921
1,5-Diphenylpenta-1,4-dien-3-one;palladium
CID 154270
Diphenyldi(O-tolyl)silane
CID 3522575
Bis(phenylethynyl)diphenylsilane
CID 5213428
Tris(dibenzylideneacetone) dipalladium
CID 9832798
Tris(dibenzylideneacetone)platinum(0)
CID 54768455
Phenyl(triphenylsilyl)methanone
CID 3522576
Phenyltribenzylsilane
CID 233881
Phenyltri(O-tolyl)silane
CID 4062260
1,5-Diphenylpenta-1,4-dien-3-one
CID 157881154
Tetrabenzylsilane
CID 233883

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one (CID 15681857) is (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one?
The InChIKey is LVMXWACJNNFNHX-LEORQAMQSA-N. The full InChI is InChI=1S/C29H24OSi/c30-29(24-14-13-17-25-15-5-1-6-16-25)31(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-24H/b17-13+,24-14+.
What are the key properties of (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one?
(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one has a molecular weight of 416.60 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one is sourced from PubChem (CID 15681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).