1,3-bis(2-ethoxyethyl)imidazol-1-ium

C11H21N2O2+ — CID 59112282

IUPAC1,3-bis(2-ethoxyethyl)imidazol-1-ium
SMILESCCOCCn1cc[n+](CCOCC)c1
InChIInChI=1S/C11H21N2O2/c1-3-14-9-7-12-5-6-13(11-12)8-10-15-4-2/h5-6,11H,3-4,7-10H2,1-2H3/q+1
InChIKeyTUZRFEXRPFPASZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.85
Rot. Bonds8

About 1,3-bis(2-ethoxyethyl)imidazol-1-ium

1,3-bis(2-ethoxyethyl)imidazol-1-ium (PubChem CID 59112282) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 1,3-bis(2-ethoxyethyl)imidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(2-ethoxyethyl)imidazol-1-ium
PubChem CID59112282
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1,3-bis(2-ethoxyethyl)imidazol-1-ium
SMILESCCOCCn1cc[n+](CCOCC)c1
InChIInChI=1S/C11H21N2O2/c1-3-14-9-7-12-5-6-13(11-12)8-10-15-4-2/h5-6,11H,3-4,7-10H2,1-2H3/q+1
InChIKeyTUZRFEXRPFPASZ-UHFFFAOYSA-N
XLogP0.85
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-ethoxyethyl)imidazol-1-ium-1-yl]propane-1-sulfonate
CID 172815722
1-butyl-3-[2-[2-[2-(3-butylimidazol-3-ium-1-yl)ethoxy]ethoxy]ethyl]imidazol-1-ium
CID 91820734
1-dodecyl-3-[2-[2-(3-dodecylimidazol-3-ium-1-yl)ethoxy]ethyl]imidazol-1-ium
CID 102407090
1,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-1-ium iodide
CID 87189348
1,3-bis(2-propan-2-yloxyethyl)imidazol-1-ium
CID 170169198
3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium
CID 118645263
1,3-bis(3-butoxypropyl)imidazol-1-ium hydroxide
CID 169209876
1,3-bis(3-pentoxypropyl)imidazol-1-ium
CID 170168188
4-[3-[2-[2-[2-[3-(3-cyanopropyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethyl]imidazol-1-ium-1-yl]butanenitrile
CID 102138076
1-propyl-3-[4-(3-propylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 118040993
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-butyl-3-nonadecylimidazol-3-ium
CID 87809769

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethoxyethyl)imidazol-1-ium?
The IUPAC name of 1,3-bis(2-ethoxyethyl)imidazol-1-ium (CID 59112282) is 1,3-bis(2-ethoxyethyl)imidazol-1-ium.
What is the SMILES notation for 1,3-bis(2-ethoxyethyl)imidazol-1-ium?
The canonical SMILES for 1,3-bis(2-ethoxyethyl)imidazol-1-ium is CCOCCn1cc[n+](CCOCC)c1.
What is the InChIKey of 1,3-bis(2-ethoxyethyl)imidazol-1-ium?
The InChIKey is TUZRFEXRPFPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2/c1-3-14-9-7-12-5-6-13(11-12)8-10-15-4-2/h5-6,11H,3-4,7-10H2,1-2H3/q+1.
What are the key properties of 1,3-bis(2-ethoxyethyl)imidazol-1-ium?
1,3-bis(2-ethoxyethyl)imidazol-1-ium has a molecular weight of 213.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethoxyethyl)imidazol-1-ium is sourced from PubChem (CID 59112282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).