magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride

C54H81ClMgN2O6Si2 — CID 167673905

About magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride

magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride (PubChem CID 167673905) has the molecular formula C54H81ClMgN2O6Si2 and a molecular weight of 970.18 g/mol. Its IUPAC name is magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride.

Molecular Properties

• Compound Name: magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride
• PubChem CID: 167673905
• Molecular Formula: C54H81ClMgN2O6Si2
• Molecular Weight: 970.18 g/mol
• Exact Mass: 968.52
• IUPAC Name: magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride
• SMILES: C.C.CC(C)(C)OC(=O)N1CCC[C@H]1CCC(O)C[Si](C)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)N1CCC[C@H]1CCC=O.[CH2-][Si](C)(c1ccccc1)c1ccccc1.[Cl-].[Mg+2]
• InChI: InChI=1S/C26H37NO3Si.C14H15Si.C12H21NO3.2CH4.ClH.Mg/c1-26(2,3)30-25(29)27-19-11-12-21(27)17-18-22(28)20-31(4,23-13-7-5-8-14-23)24-15-9-6-10-16-24;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-12(2,3)16-11(15)13-8-4-6-10(13)7-5-9-14;;;;/h5-10,13-16,21-22,28H,11-12,17-20H2,1-4H3;3-12H,1H2,2H3;9-10H,4-8H2,1-3H3;2*1H4;1H;/q;-1;;;;;+2/p-1/t21-,22?;;10-;;;;/m0.0..../s1
• InChIKey: WYLIJCNMDIWSRI-YTNCCVLMSA-M
• XLogP: 6.93
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.18
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride?

The IUPAC name of magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride (CID 167673905) is magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride.

What is the SMILES notation for magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride?

The canonical SMILES for magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride is C.C.CC(C)(C)OC(=O)N1CCC[C@H]1CCC(O)C[Si](C)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)N1CCC[C@H]1CCC=O.[CH2-][Si](C)(c1ccccc1)c1ccccc1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride?

The InChIKey is WYLIJCNMDIWSRI-YTNCCVLMSA-M. The full InChI is InChI=1S/C26H37NO3Si.C14H15Si.C12H21NO3.2CH4.ClH.Mg/c1-26(2,3)30-25(29)27-19-11-12-21(27)17-18-22(28)20-31(4,23-13-7-5-8-14-23)24-15-9-6-10-16-24;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-12(2,3)16-11(15)13-8-4-6-10(13)7-5-9-14;;;;/h5-10,13-16,21-22,28H,11-12,17-20H2,1-4H3;3-12H,1H2,2H3;9-10H,4-8H2,1-3H3;2*1H4;1H;/q;-1;;;;;+2/p-1/t21-,22?;;10-;;;;/m0.0..../s1.

What are the key properties of magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride?

magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride has a molecular weight of 970.18 g/mol, XLogP of 6.93, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl (2S)-2-[3-hydroxy-4-[methyl(diphenyl)silyl]butyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(3-oxopropyl)pyrrolidine-1-carboxylate;methane;methanidyl-methyl-diphenylsilane;chloride is sourced from PubChem (CID 167673905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).