tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane

C17H29NO2Si — CID 10494970

IUPACtert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(N2CC2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(5,6)20-12-11-15-13-18(15)14-7-9-16(19-4)10-8-14/h7-10,15H,11-13H2,1-6H3
InChIKeyZPAMVMITKWVQRO-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane (PubChem CID 10494970) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane
PubChem CID10494970
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Nametert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(N2CC2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(5,6)20-12-11-15-13-18(15)14-7-9-16(19-4)10-8-14/h7-10,15H,11-13H2,1-6H3
InChIKeyZPAMVMITKWVQRO-UHFFFAOYSA-N
XLogP4.30
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane (CID 10494970) is tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane is COc1ccc(N2CC2CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane?
The InChIKey is ZPAMVMITKWVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)21(5,6)20-12-11-15-13-18(15)14-7-9-16(19-4)10-8-14/h7-10,15H,11-13H2,1-6H3.
What are the key properties of tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane has a molecular weight of 307.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 10494970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).