[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate

C37H59NO5Si — CID 100968199

About [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate

[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 100968199) has the molecular formula C37H59NO5Si and a molecular weight of 625.97 g/mol. Its IUPAC name is [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

• Compound Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
• PubChem CID: 100968199
• Molecular Formula: C37H59NO5Si
• Molecular Weight: 625.97 g/mol
• Exact Mass: 625.42
• IUPAC Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
• SMILES: CCC1(CC)OC[C@H]([C@@H]2CC(=O)C([Si](C(C)C)(C(C)C)C(C)C)=CN2C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)c2ccccc2)O1
• InChI: InChI=1S/C37H59NO5Si/c1-11-37(12-2)41-24-33(43-37)30-22-31(39)34(44(25(3)4,26(5)6)27(7)8)23-38(30)35(40)42-32-21-17-16-20-29(32)36(9,10)28-18-14-13-15-19-28/h13-15,18-19,23,25-27,29-30,32-33H,11-12,16-17,20-22,24H2,1-10H3/t29-,30-,32-,33+/m0/s1
• InChIKey: NLXPIYBQAXRGKC-NIRAYWGMSA-N
• XLogP: 9.34
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.97
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?

The IUPAC name of [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate (CID 100968199) is [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate.

What is the SMILES notation for [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?

The canonical SMILES for [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate is CCC1(CC)OC[C@H]([C@@H]2CC(=O)C([Si](C(C)C)(C(C)C)C(C)C)=CN2C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)c2ccccc2)O1.

What is the InChIKey of [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?

The InChIKey is NLXPIYBQAXRGKC-NIRAYWGMSA-N. The full InChI is InChI=1S/C37H59NO5Si/c1-11-37(12-2)41-24-33(43-37)30-22-31(39)34(44(25(3)4,26(5)6)27(7)8)23-38(30)35(40)42-32-21-17-16-20-29(32)36(9,10)28-18-14-13-15-19-28/h13-15,18-19,23,25-27,29-30,32-33H,11-12,16-17,20-22,24H2,1-10H3/t29-,30-,32-,33+/m0/s1.

What are the key properties of [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?

[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 625.97 g/mol, XLogP of 9.34, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 100968199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).