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

C35H55NO6Si2 — CID 23727351

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

tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 23727351) has the molecular formula C35H55NO6Si2 and a molecular weight of 642.00 g/mol. Its IUPAC name is tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
• PubChem CID: 23727351
• Molecular Formula: C35H55NO6Si2
• Molecular Weight: 642.00 g/mol
• Exact Mass: 641.36
• IUPAC Name: tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(=O)C(C(O)CCO[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H55NO6Si2/c1-33(2,3)42-32(39)36-26(24-29(31(36)38)30(37)22-23-40-43(10,11)34(4,5)6)25-41-44(35(7,8)9,27-18-14-12-15-19-27)28-20-16-13-17-21-28/h12-21,26,29-30,37H,22-25H2,1-11H3/t26-,29?,30?/m0/s1
• InChIKey: LFEQHGUJXVUQDB-DWJQHYKSSA-N
• XLogP: 6.49
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.00
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
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 (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (CID 23727351) is tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.

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

The canonical SMILES for tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C(C(O)CCO[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

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

The InChIKey is LFEQHGUJXVUQDB-DWJQHYKSSA-N. The full InChI is InChI=1S/C35H55NO6Si2/c1-33(2,3)42-32(39)36-26(24-29(31(36)38)30(37)22-23-40-43(10,11)34(4,5)6)25-41-44(35(7,8)9,27-18-14-12-15-19-27)28-20-16-13-17-21-28/h12-21,26,29-30,37H,22-25H2,1-11H3/t26-,29?,30?/m0/s1.

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

tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 642.00 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (5S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 23727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).