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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Related Compounds

tert-butyl-[2-[(2S,4R)-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]-dimethylsilane
CID 102079275
(1R)-N,N-dibenzyl-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-(4-methoxyphenyl)aziridin-2-yl]ethanamine
CID 11432068
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
CID 66774191
2-[(2R)-4-benzyl-1-ethylpiperazin-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 176897495
tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
CID 135029835
tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 11732597
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-4-yl]ethanol
CID 139258670
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
tert-butyl-[[2-(4-methoxyphenyl)-5-nitro-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 12987110
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]hexan-2-one
CID 25191553

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).