[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone

C24H49NO5Si2 — CID 71726096

About [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone

[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71726096) has the molecular formula C24H49NO5Si2 and a molecular weight of 487.83 g/mol. Its IUPAC name is [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 71726096
• Molecular Formula: C24H49NO5Si2
• Molecular Weight: 487.83 g/mol
• Exact Mass: 487.31
• IUPAC Name: [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone
• SMILES: CC1(C)O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N2CCCC2)O1
• InChI: InChI=1S/C24H49NO5Si2/c1-22(2,3)31(9,10)27-17-18(30-32(11,12)23(4,5)6)19-20(29-24(7,8)28-19)21(26)25-15-13-14-16-25/h18-20H,13-17H2,1-12H3/t18-,19-,20-/m1/s1
• InChIKey: RYDAUKCASGRHKO-VAMGGRTRSA-N
• XLogP: 5.54
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.83
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone (CID 71726096) is [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone is CC1(C)O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N2CCCC2)O1.

What is the InChIKey of [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is RYDAUKCASGRHKO-VAMGGRTRSA-N. The full InChI is InChI=1S/C24H49NO5Si2/c1-22(2,3)31(9,10)27-17-18(30-32(11,12)23(4,5)6)19-20(29-24(7,8)28-19)21(26)25-15-13-14-16-25/h18-20H,13-17H2,1-12H3/t18-,19-,20-/m1/s1.

What are the key properties of [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone?

[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 487.83 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71726096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).