2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

C14H26N2O4 — CID 91131361

IUPAC2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCCOCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C14H26N2O4/c1-3-4-7-18-8-9-19-10-11-20-14(17)12-16-6-5-15(2)13-16/h5-6H,3-4,7-13H2,1-2H3
InChIKeyXHCCJXYHUDYPMP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.04
Rot. Bonds11

About 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 91131361) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID91131361
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCCOCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C14H26N2O4/c1-3-4-7-18-8-9-19-10-11-20-14(17)12-16-6-5-15(2)13-16/h5-6H,3-4,7-13H2,1-2H3
InChIKeyXHCCJXYHUDYPMP-UHFFFAOYSA-N
XLogP1.04
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 91131361) is 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCCCOCCOCCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is XHCCJXYHUDYPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-7-18-8-9-19-10-11-20-14(17)12-16-6-5-15(2)13-16/h5-6H,3-4,7-13H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 286.37 g/mol, XLogP of 1.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 91131361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).