5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one

C23H32ClNO3Si — CID 101254879

IUPAC5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32ClNO3Si/c1-16-20(9-8-14-28-29(6,7)23(3,4)5)21(17(2)26)15-25(22(16)27)19-12-10-18(24)11-13-19/h10-13,15H,8-9,14H2,1-7H3
InChIKeyJQZPJDGVVYMHHS-UHFFFAOYSA-N
MW434.05 g/mol
LogP5.96
Rot. Bonds7

About 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one

5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one (PubChem CID 101254879) has the molecular formula C23H32ClNO3Si and a molecular weight of 434.05 g/mol. Its IUPAC name is 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one
PubChem CID101254879
Molecular FormulaC23H32ClNO3Si
Molecular Weight434.05 g/mol
Exact Mass433.18
IUPAC Name5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32ClNO3Si/c1-16-20(9-8-14-28-29(6,7)23(3,4)5)21(17(2)26)15-25(22(16)27)19-12-10-18(24)11-13-19/h10-13,15H,8-9,14H2,1-7H3
InChIKeyJQZPJDGVVYMHHS-UHFFFAOYSA-N
XLogP5.96
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.05
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one?
The IUPAC name of 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one (CID 101254879) is 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one is CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one?
The InChIKey is JQZPJDGVVYMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClNO3Si/c1-16-20(9-8-14-28-29(6,7)23(3,4)5)21(17(2)26)15-25(22(16)27)19-12-10-18(24)11-13-19/h10-13,15H,8-9,14H2,1-7H3.
What are the key properties of 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one?
5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one has a molecular weight of 434.05 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-3-methylpyridin-2-one is sourced from PubChem (CID 101254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).