3-methyl-1-triphenylsilylbut-2-en-1-one

C23H22OSi — CID 14976916

IUPAC3-methyl-1-triphenylsilylbut-2-en-1-one
SMILESCC(C)=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22OSi/c1-19(2)18-23(24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyDHPVQPAHKRNDGO-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.23
Rot. Bonds5

About 3-methyl-1-triphenylsilylbut-2-en-1-one

3-methyl-1-triphenylsilylbut-2-en-1-one (PubChem CID 14976916) has the molecular formula C23H22OSi and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-methyl-1-triphenylsilylbut-2-en-1-one.

Molecular Properties

Compound Name3-methyl-1-triphenylsilylbut-2-en-1-one
PubChem CID14976916
Molecular FormulaC23H22OSi
Molecular Weight342.51 g/mol
Exact Mass342.14
IUPAC Name3-methyl-1-triphenylsilylbut-2-en-1-one
SMILESCC(C)=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22OSi/c1-19(2)18-23(24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyDHPVQPAHKRNDGO-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.23
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

Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Methyltriphenylsilane
CID 522714
Acetyltriphenylsilane
CID 5226386
Silane, triphenyl(trifluoroacetyl)-
CID 11024701
(tert-Butylperoxy)(triphenyl)silane
CID 15606852
Ethyltriphenylsilane
CID 5219688
2,2-Difluoro-1-triphenylsilylethanone
CID 86003413
2-Fluoro-1-triphenylsilylethanone
CID 86003433
2-cyclohexylideneethyl-[(Z)-2-methylbut-2-enyl]-diphenylsilane
CID 10594710
(E)-1-triphenylgermylbut-2-en-1-one
CID 11646445
2-[Tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
CID 14451174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-triphenylsilylbut-2-en-1-one?
The IUPAC name of 3-methyl-1-triphenylsilylbut-2-en-1-one (CID 14976916) is 3-methyl-1-triphenylsilylbut-2-en-1-one.
What is the SMILES notation for 3-methyl-1-triphenylsilylbut-2-en-1-one?
The canonical SMILES for 3-methyl-1-triphenylsilylbut-2-en-1-one is CC(C)=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1-triphenylsilylbut-2-en-1-one?
The InChIKey is DHPVQPAHKRNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22OSi/c1-19(2)18-23(24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3.
What are the key properties of 3-methyl-1-triphenylsilylbut-2-en-1-one?
3-methyl-1-triphenylsilylbut-2-en-1-one has a molecular weight of 342.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-triphenylsilylbut-2-en-1-one is sourced from PubChem (CID 14976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).