tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane

C26H49NO2Si2 — CID 46845307

About tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane

tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane (PubChem CID 46845307) has the molecular formula C26H49NO2Si2 and a molecular weight of 463.86 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
• PubChem CID: 46845307
• Molecular Formula: C26H49NO2Si2
• Molecular Weight: 463.86 g/mol
• Exact Mass: 463.33
• IUPAC Name: tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
• SMILES: C[C@H](c1ccccc1)N1C[C@H]1[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H49NO2Si2/c1-21(22-16-13-12-14-17-22)27-20-23(27)24(29-31(10,11)26(5,6)7)18-15-19-28-30(8,9)25(2,3)4/h12-14,16-17,21,23-24H,15,18-20H2,1-11H3/t21-,23+,24-,27?/m1/s1
• InChIKey: YHCXAYAJTVPRPA-OIEXWRJMSA-N
• XLogP: 7.62
• TPSA: 21.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.86
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane (CID 46845307) is tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane is C[C@H](c1ccccc1)N1C[C@H]1[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?

The InChIKey is YHCXAYAJTVPRPA-OIEXWRJMSA-N. The full InChI is InChI=1S/C26H49NO2Si2/c1-21(22-16-13-12-14-17-22)27-20-23(27)24(29-31(10,11)26(5,6)7)18-15-19-28-30(8,9)25(2,3)4/h12-14,16-17,21,23-24H,15,18-20H2,1-11H3/t21-,23+,24-,27?/m1/s1.

What are the key properties of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?

tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane has a molecular weight of 463.86 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 46845307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).