ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate

C23H45NO7Si — CID 11225292

About ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate

ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 11225292) has the molecular formula C23H45NO7Si and a molecular weight of 475.70 g/mol. Its IUPAC name is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

• Compound Name: ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
• PubChem CID: 11225292
• Molecular Formula: C23H45NO7Si
• Molecular Weight: 475.70 g/mol
• Exact Mass: 475.30
• IUPAC Name: ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
• SMILES: CC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C23H45NO7Si/c1-21(2,3)30-19(27)16-12-15(14-29-32(10,11)23(7,8)9)18(17(26)13-25)24(16)20(28)31-22(4,5)6/h15-18,25-26H,12-14H2,1-11H3/t15-,16+,17?,18+/m0/s1
• InChIKey: XUYISRMMIMDPQU-QXMSTZRJSA-N
• XLogP: 3.70
• TPSA: 105.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.70
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?

The IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 11225292) is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate.

What is the SMILES notation for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?

The canonical SMILES for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1C(=O)OC(C)(C)C.

What is the InChIKey of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?

The InChIKey is XUYISRMMIMDPQU-QXMSTZRJSA-N. The full InChI is InChI=1S/C23H45NO7Si/c1-21(2,3)30-19(27)16-12-15(14-29-32(10,11)23(7,8)9)18(17(26)13-25)24(16)20(28)31-22(4,5)6/h15-18,25-26H,12-14H2,1-11H3/t15-,16+,17?,18+/m0/s1.

What are the key properties of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?

ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 475.70 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11225292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).