tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate

C30H45NO6Si2 — CID 10674608

About tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 10674608) has the molecular formula C30H45NO6Si2 and a molecular weight of 571.86 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate
• PubChem CID: 10674608
• Molecular Formula: C30H45NO6Si2
• Molecular Weight: 571.86 g/mol
• Exact Mass: 571.28
• IUPAC Name: tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate
• SMILES: CCO[Si](O[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H45NO6Si2/c1-10-34-39(23-17-13-11-14-18-23,24-19-15-12-16-20-24)37-26-21-27(32)31(28(33)36-29(2,3)4)25(26)22-35-38(8,9)30(5,6)7/h11-20,25-26H,10,21-22H2,1-9H3/t25-,26+/m1/s1
• InChIKey: XFHXZDYCFHOWDS-FTJBHMTQSA-N
• XLogP: 5.22
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.86
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate (CID 10674608) is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate is CCO[Si](O[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate?

The InChIKey is XFHXZDYCFHOWDS-FTJBHMTQSA-N. The full InChI is InChI=1S/C30H45NO6Si2/c1-10-34-39(23-17-13-11-14-18-23,24-19-15-12-16-20-24)37-26-21-27(32)31(28(33)36-29(2,3)4)25(26)22-35-38(8,9)30(5,6)7/h11-20,25-26H,10,21-22H2,1-9H3/t25-,26+/m1/s1.

What are the key properties of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate?

tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 571.86 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10674608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).