2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol

C8H15N2O2+ — CID 87744548

IUPAC2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol
SMILESCC(OCCO)n1cc[n+](C)c1
InChIInChI=1S/C8H15N2O2/c1-8(12-6-5-11)10-4-3-9(2)7-10/h3-4,7-8,11H,5-6H2,1-2H3/q+1
InChIKeySXYBBOMWFWCNFE-UHFFFAOYSA-N
MW171.22 g/mol
LogP-0.16
Rot. Bonds4

About 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol

2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol (PubChem CID 87744548) has the molecular formula C8H15N2O2+ and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol
PubChem CID87744548
Molecular FormulaC8H15N2O2+
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol
SMILESCC(OCCO)n1cc[n+](C)c1
InChIInChI=1S/C8H15N2O2/c1-8(12-6-5-11)10-4-3-9(2)7-10/h3-4,7-8,11H,5-6H2,1-2H3/q+1
InChIKeySXYBBOMWFWCNFE-UHFFFAOYSA-N
XLogP-0.16
TPSA38.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylimidazol-3-ium-1-yl)propanenitrile
CID 62705906
1-(1-hexadecoxypropan-2-yl)-3-methylimidazol-3-ium
CID 19965790
boric acid;1-(3-methylimidazol-3-ium-1-yl)propan-1-amine
CID 175597926
5-(3-methylimidazol-3-ium-1-yl)octane-2,6-diol
CID 175124173
1-(3-methylimidazol-3-ium-1-yl)butyl acetate
CID 175074173
3-(3-methylimidazol-3-ium-1-yl)pentanoic acid
CID 176654185
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
1-butan-2-yl-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 158849714
1-(1-propoxyethyl)imidazole
CID 174521679
N,N-dimethyl-1-(3-methylimidazol-3-ium-1-yl)propan-1-amine bromide
CID 87121443
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
tris(1-(3-methylimidazol-3-ium-1-yl)propan-1-amine);borate
CID 175597927

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol (CID 87744548) is 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol is CC(OCCO)n1cc[n+](C)c1.
What is the InChIKey of 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol?
The InChIKey is SXYBBOMWFWCNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O2/c1-8(12-6-5-11)10-4-3-9(2)7-10/h3-4,7-8,11H,5-6H2,1-2H3/q+1.
What are the key properties of 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol?
2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol has a molecular weight of 171.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol is sourced from PubChem (CID 87744548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).