2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol

C13H26N2O3 — CID 57350021

IUPAC2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol
SMILESCCCCN1C=CN(CCOCCOCCO)C1
InChIInChI=1S/C13H26N2O3/c1-2-3-4-14-5-6-15(13-14)7-9-17-11-12-18-10-8-16/h5-6,16H,2-4,7-13H2,1H3
InChIKeyAUUQPGYNEZIOIV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.86
Rot. Bonds11

About 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol

2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol (PubChem CID 57350021) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol
PubChem CID57350021
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol
SMILESCCCCN1C=CN(CCOCCOCCO)C1
InChIInChI=1S/C13H26N2O3/c1-2-3-4-14-5-6-15(13-14)7-9-17-11-12-18-10-8-16/h5-6,16H,2-4,7-13H2,1H3
InChIKeyAUUQPGYNEZIOIV-UHFFFAOYSA-N
XLogP0.86
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol (CID 57350021) is 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol is CCCCN1C=CN(CCOCCOCCO)C1.
What is the InChIKey of 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol?
The InChIKey is AUUQPGYNEZIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-3-4-14-5-6-15(13-14)7-9-17-11-12-18-10-8-16/h5-6,16H,2-4,7-13H2,1H3.
What are the key properties of 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol?
2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol has a molecular weight of 258.36 g/mol, XLogP of 0.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 57350021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).