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

C25H37NO3Si — CID 14571479

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

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 14571479) has the molecular formula C25H37NO3Si and a molecular weight of 427.66 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

• Compound Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
• PubChem CID: 14571479
• Molecular Formula: C25H37NO3Si
• Molecular Weight: 427.66 g/mol
• Exact Mass: 427.25
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C=C([Si](C)(C)C)C(=O)C[C@H]1c1ccccc1
• InChI: InChI=1S/C25H37NO3Si/c1-17(2)20-13-12-18(3)14-23(20)29-25(28)26-16-24(30(4,5)6)22(27)15-21(26)19-10-8-7-9-11-19/h7-11,16-18,20-21,23H,12-15H2,1-6H3/t18-,20+,21+,23-/m1/s1
• InChIKey: YMQWPHGVTDFKSP-LCKKVJLRSA-N
• XLogP: 6.36
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.66
LogP ≤ 5	6.36
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)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate?

The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate (CID 14571479) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate.

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

The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C=C([Si](C)(C)C)C(=O)C[C@H]1c1ccccc1.

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

The InChIKey is YMQWPHGVTDFKSP-LCKKVJLRSA-N. The full InChI is InChI=1S/C25H37NO3Si/c1-17(2)20-13-12-18(3)14-23(20)29-25(28)26-16-24(30(4,5)6)22(27)15-21(26)19-10-8-7-9-11-19/h7-11,16-18,20-21,23H,12-15H2,1-6H3/t18-,20+,21+,23-/m1/s1.

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

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 427.66 g/mol, XLogP of 6.36, 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)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 14571479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).