tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate

C19H27NO3Si — CID 71270268

IUPACtert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C([Si](C)(C)C)=C(c2ccccc2)C1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)23-18(22)20-12-15(14-10-8-7-9-11-14)17(16(21)13-20)24(4,5)6/h7-11H,12-13H2,1-6H3
InChIKeyHQIRKOIUEJURGI-UHFFFAOYSA-N
MW345.52 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate

tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate (PubChem CID 71270268) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate
PubChem CID71270268
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Nametert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C([Si](C)(C)C)=C(c2ccccc2)C1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)23-18(22)20-12-15(14-10-8-7-9-11-14)17(16(21)13-20)24(4,5)6/h7-11H,12-13H2,1-6H3
InChIKeyHQIRKOIUEJURGI-UHFFFAOYSA-N
XLogP4.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate (CID 71270268) is tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)C([Si](C)(C)C)=C(c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate?
The InChIKey is HQIRKOIUEJURGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-19(2,3)23-18(22)20-12-15(14-10-8-7-9-11-14)17(16(21)13-20)24(4,5)6/h7-11H,12-13H2,1-6H3.
What are the key properties of tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate?
tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate has a molecular weight of 345.52 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-5-phenyl-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 71270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).