tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane

C12H27NOSi — CID 99771220

IUPACtert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane
SMILESCC[C@H]1N[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NOSi/c1-7-10-11(13-10)8-9-14-15(5,6)12(2,3)4/h10-11,13H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyYELJXPORFJRBJY-MNOVXSKESA-N
MW229.44 g/mol
LogP3.15
Rot. Bonds5

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

tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane (PubChem CID 99771220) has the molecular formula C12H27NOSi and a molecular weight of 229.44 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane
PubChem CID99771220
Molecular FormulaC12H27NOSi
Molecular Weight229.44 g/mol
Exact Mass229.19
IUPAC Nametert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane
SMILESCC[C@H]1N[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NOSi/c1-7-10-11(13-10)8-9-14-15(5,6)12(2,3)4/h10-11,13H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyYELJXPORFJRBJY-MNOVXSKESA-N
XLogP3.15
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
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

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tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
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tert-butyl-dimethyl-[2-(6-methylmorpholin-3-yl)ethoxy]silane
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tert-butyl-dimethyl-(2-triethylsilyloxyethoxy)silane
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tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
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[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane (CID 99771220) is tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane is CC[C@H]1N[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane?
The InChIKey is YELJXPORFJRBJY-MNOVXSKESA-N. The full InChI is InChI=1S/C12H27NOSi/c1-7-10-11(13-10)8-9-14-15(5,6)12(2,3)4/h10-11,13H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane has a molecular weight of 229.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 99771220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).