2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol

C16H31N2O+ — CID 154174238

IUPAC2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCC1=NC=C[NH+]1CCO
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h12-13,19H,2-11,14-15H2,1H3/p+1
InChIKeyHADRUDTZSQDBIY-UHFFFAOYSA-O
MW267.44 g/mol
LogP2.67
Rot. Bonds12

About 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol

2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol (PubChem CID 154174238) has the molecular formula C16H31N2O+ and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol
PubChem CID154174238
Molecular FormulaC16H31N2O+
Molecular Weight267.44 g/mol
Exact Mass267.24
IUPAC Name2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCC1=NC=C[NH+]1CCO
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h12-13,19H,2-11,14-15H2,1H3/p+1
InChIKeyHADRUDTZSQDBIY-UHFFFAOYSA-O
XLogP2.67
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl sulfate;2-(2-octyl-1H-imidazol-1-ium-1-yl)ethanol
CID 158753035
1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
CID 148919358
3-(1-ethyl-1H-imidazol-1-ium-2-yl)propan-1-ol bromide
CID 140598053
benzene-1,2,4-tricarboxylate;tris(3-(2-undecyl-1H-imidazol-1-ium-1-yl)propanenitrile)
CID 23160481
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
bis(1-decyl-2-methyl-1H-imidazol-1-ium) dibromide
CID 70269111
2-butyl-1-ethenyl-1H-imidazol-1-ium chloride
CID 158653587
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039
decane;propan-1-ol
CID 157421705
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
heptatriacontan-1-ol
CID 537071
heptan-1-ol;nonan-1-ol
CID 160785033

Frequently Asked Questions

What is the IUPAC name of 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol (CID 154174238) is 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol is CCCCCCCCCCCC1=NC=C[NH+]1CCO.
What is the InChIKey of 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol?
The InChIKey is HADRUDTZSQDBIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h12-13,19H,2-11,14-15H2,1H3/p+1.
What are the key properties of 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol?
2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol has a molecular weight of 267.44 g/mol, XLogP of 2.67, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-undecyl-1H-imidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 154174238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).