[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate

C26H39NO3Si — CID 102268258

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 102268258) has the molecular formula C26H39NO3Si and a molecular weight of 441.69 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

• Compound Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
• PubChem CID: 102268258
• Molecular Formula: C26H39NO3Si
• Molecular Weight: 441.69 g/mol
• Exact Mass: 441.27
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
• SMILES: Cc1ccccc1[C@@H]1CC(=O)C([Si](C)(C)C)=CN1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
• InChI: InChI=1S/C26H39NO3Si/c1-17(2)20-13-12-18(3)14-24(20)30-26(29)27-16-25(31(5,6)7)23(28)15-22(27)21-11-9-8-10-19(21)4/h8-11,16-18,20,22,24H,12-15H2,1-7H3/t18-,20+,22+,24-/m1/s1
• InChIKey: BLHDUXSMALDWAD-HJBWUJCXSA-N
• XLogP: 6.67
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.69
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate?

The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate (CID 102268258) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate.

What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate?

The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate is Cc1ccccc1[C@@H]1CC(=O)C([Si](C)(C)C)=CN1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.

What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate?

The InChIKey is BLHDUXSMALDWAD-HJBWUJCXSA-N. The full InChI is InChI=1S/C26H39NO3Si/c1-17(2)20-13-12-18(3)14-24(20)30-26(29)27-16-25(31(5,6)7)23(28)15-22(27)21-11-9-8-10-19(21)4/h8-11,16-18,20,22,24H,12-15H2,1-7H3/t18-,20+,22+,24-/m1/s1.

What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate?

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 441.69 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 102268258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).