[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane

C13H31N2O2Si3+ — CID 123856025

IUPAC[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
SMILESCCn1cc[n+](C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c1
InChIInChI=1S/C13H31N2O2Si3/c1-9-14-10-11-15(12-14)13-19(5,6)17-20(7,8)16-18(2,3)4/h10-12H,9,13H2,1-8H3/q+1
InChIKeyJTONSIRJIZGTGW-UHFFFAOYSA-N
MW331.66 g/mol
LogP3.11
Rot. Bonds7

About [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane

[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane (PubChem CID 123856025) has the molecular formula C13H31N2O2Si3+ and a molecular weight of 331.66 g/mol. Its IUPAC name is [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
PubChem CID123856025
Molecular FormulaC13H31N2O2Si3+
Molecular Weight331.66 g/mol
Exact Mass331.17
IUPAC Name[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
SMILESCCn1cc[n+](C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c1
InChIInChI=1S/C13H31N2O2Si3/c1-9-14-10-11-15(12-14)13-19(5,6)17-20(7,8)16-18(2,3)4/h10-12H,9,13H2,1-8H3/q+1
InChIKeyJTONSIRJIZGTGW-UHFFFAOYSA-N
XLogP3.11
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-ethyl-3-(2-methylpropyl)imidazol-3-ium bromide
CID 10585696
methyl 3-(3-ethylimidazol-1-ium-1-yl)propanoate
CID 102322812
bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
CID 153323816
1-ethyl-3-(2-methylpropoxymethyl)imidazol-3-ium
CID 125115309
1-(2-chloroethyl)-3-ethylimidazol-1-ium chloride
CID 141218424
1,3-diethylimidazol-1-ium;methyl sulfate
CID 87103587
1-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
1-ethyl-3-[[(2S)-2-methylbutoxy]methyl]imidazol-3-ium
CID 125115389
2-(3-ethylimidazol-1-ium-1-yl)ethyl prop-2-enoate
CID 101336893
[dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 158304380

Frequently Asked Questions

What is the IUPAC name of [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The IUPAC name of [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane (CID 123856025) is [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane.
What is the SMILES notation for [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The canonical SMILES for [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane is CCn1cc[n+](C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c1.
What is the InChIKey of [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The InChIKey is JTONSIRJIZGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N2O2Si3/c1-9-14-10-11-15(12-14)13-19(5,6)17-20(7,8)16-18(2,3)4/h10-12H,9,13H2,1-8H3/q+1.
What are the key properties of [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
[dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane has a molecular weight of 331.66 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(trimethylsilyloxy)silyl]oxy-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane is sourced from PubChem (CID 123856025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).