tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane

C15H33NOSi — CID 11000178

IUPACtert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane
SMILESCCCCCC[C@H]1N[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H33NOSi/c1-7-8-9-10-11-13-14(16-13)12-17-18(5,6)15(2,3)4/h13-14,16H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyNJEXUMJHTNRZTI-ZIAGYGMSSA-N
MW271.52 g/mol
LogP4.32
Rot. Bonds8

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

tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane (PubChem CID 11000178) has the molecular formula C15H33NOSi and a molecular weight of 271.52 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane
PubChem CID11000178
Molecular FormulaC15H33NOSi
Molecular Weight271.52 g/mol
Exact Mass271.23
IUPAC Nametert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane
SMILESCCCCCC[C@H]1N[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H33NOSi/c1-7-8-9-10-11-13-14(16-13)12-17-18(5,6)15(2,3)4/h13-14,16H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyNJEXUMJHTNRZTI-ZIAGYGMSSA-N
XLogP4.32
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane (CID 11000178) is tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane is CCCCCC[C@H]1N[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane?
The InChIKey is NJEXUMJHTNRZTI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H33NOSi/c1-7-8-9-10-11-13-14(16-13)12-17-18(5,6)15(2,3)4/h13-14,16H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane has a molecular weight of 271.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11000178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).