(E)-1-triphenylsilylbut-2-en-1-one

C22H20OSi — CID 15033618

IUPAC(E)-1-triphenylsilylbut-2-en-1-one
SMILESC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyWVKSOLNRXNTLIR-SWGQDTFXSA-N
MW328.49 g/mol
LogP2.84
Rot. Bonds5

About (E)-1-triphenylsilylbut-2-en-1-one

(E)-1-triphenylsilylbut-2-en-1-one (PubChem CID 15033618) has the molecular formula C22H20OSi and a molecular weight of 328.49 g/mol. Its IUPAC name is (E)-1-triphenylsilylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-triphenylsilylbut-2-en-1-one
PubChem CID15033618
Molecular FormulaC22H20OSi
Molecular Weight328.49 g/mol
Exact Mass328.13
IUPAC Name(E)-1-triphenylsilylbut-2-en-1-one
SMILESC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyWVKSOLNRXNTLIR-SWGQDTFXSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.84
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Triphenylsilanol
CID 69925
Vinyltriphenylsilane
CID 87747
Triphenylsilane
CID 69922
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Triphenylsilanethiol
CID 621128
Allyltriphenylsilane
CID 278642
Methyltriphenylsilane
CID 522714
1,1,1-Trimethyl-3,3,3-triphenyldisiloxane
CID 522728
Acetyltriphenylsilane
CID 5226386
(Allyloxy)triphenylsilane
CID 4093340
Silane, triphenyl(trifluoroacetyl)-
CID 11024701

Frequently Asked Questions

What is the IUPAC name of (E)-1-triphenylsilylbut-2-en-1-one?
The IUPAC name of (E)-1-triphenylsilylbut-2-en-1-one (CID 15033618) is (E)-1-triphenylsilylbut-2-en-1-one.
What is the SMILES notation for (E)-1-triphenylsilylbut-2-en-1-one?
The canonical SMILES for (E)-1-triphenylsilylbut-2-en-1-one is C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-triphenylsilylbut-2-en-1-one?
The InChIKey is WVKSOLNRXNTLIR-SWGQDTFXSA-N. The full InChI is InChI=1S/C22H20OSi/c1-2-12-22(23)24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+.
What are the key properties of (E)-1-triphenylsilylbut-2-en-1-one?
(E)-1-triphenylsilylbut-2-en-1-one has a molecular weight of 328.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-triphenylsilylbut-2-en-1-one is sourced from PubChem (CID 15033618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).