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

C12H22N2O4 — CID 90948473

IUPAC2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCOCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C12H22N2O4/c1-3-16-6-7-17-8-9-18-12(15)10-14-5-4-13(2)11-14/h4-5H,3,6-11H2,1-2H3
InChIKeyLQCLHKCHUMULRB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.26
Rot. Bonds9

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

2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 90948473) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID90948473
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCOCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C12H22N2O4/c1-3-16-6-7-17-8-9-18-12(15)10-14-5-4-13(2)11-14/h4-5H,3,6-11H2,1-2H3
InChIKeyLQCLHKCHUMULRB-UHFFFAOYSA-N
XLogP0.26
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.26
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-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 90948473) is 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCOCCOCCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is LQCLHKCHUMULRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-16-6-7-17-8-9-18-12(15)10-14-5-4-13(2)11-14/h4-5H,3,6-11H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 258.32 g/mol, XLogP of 0.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 90948473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).