(E)-3-iodo-1-triphenylsilylprop-2-en-1-one

C21H17IOSi — CID 14934032

IUPAC(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
SMILESO=C(/C=C/I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17IOSi/c22-17-16-21(23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyRSRHBLKUTAVFAX-WUKNDPDISA-N
MW440.36 g/mol
LogP3.21
Rot. Bonds5

About (E)-3-iodo-1-triphenylsilylprop-2-en-1-one

(E)-3-iodo-1-triphenylsilylprop-2-en-1-one (PubChem CID 14934032) has the molecular formula C21H17IOSi and a molecular weight of 440.36 g/mol. Its IUPAC name is (E)-3-iodo-1-triphenylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
PubChem CID14934032
Molecular FormulaC21H17IOSi
Molecular Weight440.36 g/mol
Exact Mass440.01
IUPAC Name(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
SMILESO=C(/C=C/I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17IOSi/c22-17-16-21(23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16+
InChIKeyRSRHBLKUTAVFAX-WUKNDPDISA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Acetyltriphenylsilane
CID 5226386
Silane, triphenyl(trifluoroacetyl)-
CID 11024701
2,2-Difluoro-1-triphenylsilylethanone
CID 86003413
2-Fluoro-1-triphenylsilylethanone
CID 86003433
2,2-Difluoro-2-iodo-1-triphenylsilylethanone
CID 86003450
(E)-1-triphenylgermylbut-2-en-1-one
CID 11646445
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619
(E)-3-trimethylsilyl-1-triphenylsilylprop-2-en-1-one
CID 101115089

Frequently Asked Questions

What is the IUPAC name of (E)-3-iodo-1-triphenylsilylprop-2-en-1-one?
The IUPAC name of (E)-3-iodo-1-triphenylsilylprop-2-en-1-one (CID 14934032) is (E)-3-iodo-1-triphenylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-3-iodo-1-triphenylsilylprop-2-en-1-one?
The canonical SMILES for (E)-3-iodo-1-triphenylsilylprop-2-en-1-one is O=C(/C=C/I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-iodo-1-triphenylsilylprop-2-en-1-one?
The InChIKey is RSRHBLKUTAVFAX-WUKNDPDISA-N. The full InChI is InChI=1S/C21H17IOSi/c22-17-16-21(23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16+.
What are the key properties of (E)-3-iodo-1-triphenylsilylprop-2-en-1-one?
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one has a molecular weight of 440.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-iodo-1-triphenylsilylprop-2-en-1-one is sourced from PubChem (CID 14934032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).