tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate

About tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 11398108) has the molecular formula C23H45F2NO5Si2 and a molecular weight of 509.78 g/mol. Its IUPAC name is tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID	11398108
Molecular Formula	C23H45F2NO5Si2
Molecular Weight	509.78 g/mol
Exact Mass	509.28
IUPAC Name	tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(F)F)[C@H]1CO[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C23H45F2NO5Si2/c1-21(2,3)30-20(28)26-15(14-29-32(10,11)22(4,5)6)16(18(24)25)17(19(26)27)31-33(12,13)23(7,8)9/h15-18H,14H2,1-13H3/t15-,16-,17-/m1/s1
InChIKey	HDZMINMHCLGLDA-BRWVUGGUSA-N
XLogP	6.43
TPSA	65.07 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.78
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate (CID 11398108) is tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(F)F)[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate?

The InChIKey is HDZMINMHCLGLDA-BRWVUGGUSA-N. The full InChI is InChI=1S/C23H45F2NO5Si2/c1-21(2,3)30-20(28)26-15(14-29-32(10,11)22(4,5)6)16(18(24)25)17(19(26)27)31-33(12,13)23(7,8)9/h15-18H,14H2,1-13H3/t15-,16-,17-/m1/s1.

What are the key properties of tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate?

tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 509.78 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11398108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).