[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane

C23H43NO2Si2 — CID 23243952

IUPAC[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-17-20-21(18-26-28(9,10)23(4,5)6)24(20)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21+,24?
InChIKeyGMFZHVWLQZUOIC-SVGJNIJCSA-N
MW421.77 g/mol
LogP6.28
Rot. Bonds8

About [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 23243952) has the molecular formula C23H43NO2Si2 and a molecular weight of 421.77 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID23243952
Molecular FormulaC23H43NO2Si2
Molecular Weight421.77 g/mol
Exact Mass421.28
IUPAC Name[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-17-20-21(18-26-28(9,10)23(4,5)6)24(20)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21+,24?
InChIKeyGMFZHVWLQZUOIC-SVGJNIJCSA-N
XLogP6.28
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.77
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 23243952) is [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GMFZHVWLQZUOIC-SVGJNIJCSA-N. The full InChI is InChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-17-20-21(18-26-28(9,10)23(4,5)6)24(20)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21+,24?.
What are the key properties of [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 421.77 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23243952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).