tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate

About tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 24850690) has the molecular formula C35H55NO6Si2 and a molecular weight of 642.00 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate
PubChem CID	24850690
Molecular Formula	C35H55NO6Si2
Molecular Weight	642.00 g/mol
Exact Mass	641.36
IUPAC Name	tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate
SMILES	CC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1=O
InChI	InChI=1S/C35H55NO6Si2/c1-10-43(11-2,12-3)42-30(31(37)29-23-25-36(32(29)38)33(39)41-34(4,5)6)24-26-40-44(35(7,8)9,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,29-31,37H,10-12,23-26H2,1-9H3/t29-,30-,31-/m0/s1
InChIKey	MKDYVHDBFUIJQG-CHQNGUEUSA-N
XLogP	6.49
TPSA	85.30 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	13
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate (CID 24850690) is tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate is CC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1=O.

What is the InChIKey of tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate?

The InChIKey is MKDYVHDBFUIJQG-CHQNGUEUSA-N. The full InChI is InChI=1S/C35H55NO6Si2/c1-10-43(11-2,12-3)42-30(31(37)29-23-25-36(32(29)38)33(39)41-34(4,5)6)24-26-40-44(35(7,8)9,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,29-31,37H,10-12,23-26H2,1-9H3/t29-,30-,31-/m0/s1.

What are the key properties of tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate?

tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 642.00 g/mol, XLogP of 6.49, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[(1S,2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-triethylsilyloxybutyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 24850690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).