[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

C18H31NOSi — CID 102014995

IUPAC[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-7-16-17(14-20-21(5,6)18(2,3)4)19(16)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-,19?/m1/s1
InChIKeyBBBQIRJPXFPDDD-QNZPCDNOSA-N
MW305.54 g/mol
LogP4.67
Rot. Bonds6

About [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102014995) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102014995
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-7-16-17(14-20-21(5,6)18(2,3)4)19(16)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-,19?/m1/s1
InChIKeyBBBQIRJPXFPDDD-QNZPCDNOSA-N
XLogP4.67
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102014995) is [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is CC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BBBQIRJPXFPDDD-QNZPCDNOSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-7-16-17(14-20-21(5,6)18(2,3)4)19(16)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-,19?/m1/s1.
What are the key properties of [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 305.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102014995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).