(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium

C11H24N2O3P+ — CID 66723395

IUPAC(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium
SMILESCCCCN1C=CN(CC)C1O[P+](O)(O)CC
InChIInChI=1S/C11H24N2O3P/c1-4-7-8-13-10-9-12(5-2)11(13)16-17(14,15)6-3/h9-11,14-15H,4-8H2,1-3H3/q+1
InChIKeyODTRQHNWYURYTL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.96
Rot. Bonds7

About (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium

(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium (PubChem CID 66723395) has the molecular formula C11H24N2O3P+ and a molecular weight of 263.30 g/mol. Its IUPAC name is (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium.

Molecular Properties

Compound Name(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium
PubChem CID66723395
Molecular FormulaC11H24N2O3P+
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium
SMILESCCCCN1C=CN(CC)C1O[P+](O)(O)CC
InChIInChI=1S/C11H24N2O3P/c1-4-7-8-13-10-9-12(5-2)11(13)16-17(14,15)6-3/h9-11,14-15H,4-8H2,1-3H3/q+1
InChIKeyODTRQHNWYURYTL-UHFFFAOYSA-N
XLogP1.96
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium?
The IUPAC name of (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium (CID 66723395) is (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium.
What is the SMILES notation for (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium?
The canonical SMILES for (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium is CCCCN1C=CN(CC)C1O[P+](O)(O)CC.
What is the InChIKey of (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium?
The InChIKey is ODTRQHNWYURYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3P/c1-4-7-8-13-10-9-12(5-2)11(13)16-17(14,15)6-3/h9-11,14-15H,4-8H2,1-3H3/q+1.
What are the key properties of (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium?
(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium has a molecular weight of 263.30 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium is sourced from PubChem (CID 66723395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).