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

C18H31NOSi — CID 12030475

IUPAC[(2R,3S)-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?/m0/s1
InChIKeyBBBQIRJPXFPDDD-YGYNJSFOSA-N
MW305.54 g/mol
LogP4.67
Rot. Bonds6

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

[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 12030475) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID12030475
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name[(2R,3S)-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?/m0/s1
InChIKeyBBBQIRJPXFPDDD-YGYNJSFOSA-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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Related Compounds

[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
[(2R,3R)-1-benzyl-3-ethylaziridin-2-yl]methanol
CID 11435445
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 10980405
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylmethoxyaziridin-2-yl]methyl acetate
CID 101002260
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 12030475) is [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-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 [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BBBQIRJPXFPDDD-YGYNJSFOSA-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?/m0/s1.
What are the key properties of [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S)-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 [(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 12030475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).