1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride

C8H15ClN2O2 — CID 87308469

IUPAC1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride
SMILESCOCCOCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C8H15N2O2.ClH/c1-9-3-4-10(7-9)8-12-6-5-11-2;/h3-4,7H,5-6,8H2,1-2H3;1H/q+1;/p-1
InChIKeyPKKRUSYQGWVDKT-UHFFFAOYSA-M
MW206.67 g/mol
LogP-3.06
Rot. Bonds5

About 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride

1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride (PubChem CID 87308469) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride
PubChem CID87308469
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride
SMILESCOCCOCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C8H15N2O2.ClH/c1-9-3-4-10(7-9)8-12-6-5-11-2;/h3-4,7H,5-6,8H2,1-2H3;1H/q+1;/p-1
InChIKeyPKKRUSYQGWVDKT-UHFFFAOYSA-M
XLogP-3.06
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 5-3.06
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

methyl (3-methylimidazol-3-ium-1-yl)methyl sulfate
CID 134518320
1-methyl-3-(octadec-9-enoxymethyl)imidazol-1-ium chloride
CID 173434203
2-methoxyethyl 2-(3-methylimidazol-3-ium-1-yl)acetate bromide
CID 87367258
3-(2-ethoxyethoxy)propanoate;1-(2-methoxyethyl)-3-methylimidazol-3-ium
CID 118645403
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-methyl-3-[[2,3,4,5,6-pentakis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium
CID 101387085
1,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-1-ium iodide
CID 87189348
1-methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium;hydrobromide
CID 135325512
2-ethoxyethyl 2-(3-methylimidazol-3-ium-1-yl)acetate bromide
CID 87366612
1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
2-(3-methylimidazol-3-ium-1-yl)ethyl acetate
CID 154725832
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride (CID 87308469) is 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride is COCCOCn1cc[n+](C)c1.[Cl-].
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride?
The InChIKey is PKKRUSYQGWVDKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2O2.ClH/c1-9-3-4-10(7-9)8-12-6-5-11-2;/h3-4,7H,5-6,8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride?
1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride has a molecular weight of 206.67 g/mol, XLogP of -3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-methylimidazol-3-ium chloride is sourced from PubChem (CID 87308469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).