lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane

C37H78AlLiN2O10Si2 — CID 163749925

About lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane

lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane (PubChem CID 163749925) has the molecular formula C37H78AlLiN2O10Si2 and a molecular weight of 801.13 g/mol. Its IUPAC name is lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane
• PubChem CID: 163749925
• Molecular Formula: C37H78AlLiN2O10Si2
• Molecular Weight: 801.13 g/mol
• Exact Mass: 800.52
• IUPAC Name: lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO.COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C17H33NO5Si.C16H33NO4Si.C4H8O.Al.Li.4H/c1-16(2,3)22-15(20)18-11-12(10-13(18)14(19)21-7)23-24(8,9)17(4,5)6;1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6;1-2-4-5-3-1;;;;;;/h12-13H,10-11H2,1-9H3;12-13,18H,9-11H2,1-8H3;1-4H2;;;;;;/q;;;;+1;;;;-1/t2*12-,13-;;;;;;;/m00......./s1
• InChIKey: RFIYGSRLEOQYQO-JOXNQGMZSA-N
• XLogP: 3.67
• TPSA: 133.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	801.13
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane?

The IUPAC name of lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane (CID 163749925) is lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane.

What is the SMILES notation for lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane?

The canonical SMILES for lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane is C1CCOC1.CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO.COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane?

The InChIKey is RFIYGSRLEOQYQO-JOXNQGMZSA-N. The full InChI is InChI=1S/C17H33NO5Si.C16H33NO4Si.C4H8O.Al.Li.4H/c1-16(2,3)22-15(20)18-11-12(10-13(18)14(19)21-7)23-24(8,9)17(4,5)6;1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6;1-2-4-5-3-1;;;;;;/h12-13H,10-11H2,1-9H3;12-13,18H,9-11H2,1-8H3;1-4H2;;;;;;/q;;;;+1;;;;-1/t2*12-,13-;;;;;;;/m00......./s1.

What are the key properties of lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane?

lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane has a molecular weight of 801.13 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;hydride;oxolane is sourced from PubChem (CID 163749925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).