3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium

C16H30N2O5 — CID 118645263

IUPAC3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium
SMILESCCOCCOCCC(=O)[O-].CCOCC[n+]1ccn(CC)c1
InChIInChI=1S/C9H17N2O.C7H14O4/c1-3-10-5-6-11(9-10)7-8-12-4-2;1-2-10-5-6-11-4-3-7(8)9/h5-6,9H,3-4,7-8H2,1-2H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyYAWZMHRVBAUXOY-UHFFFAOYSA-M
MW330.43 g/mol
LogP0.01
Rot. Bonds12

About 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium

3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium (PubChem CID 118645263) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium
PubChem CID118645263
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium
SMILESCCOCCOCCC(=O)[O-].CCOCC[n+]1ccn(CC)c1
InChIInChI=1S/C9H17N2O.C7H14O4/c1-3-10-5-6-11(9-10)7-8-12-4-2;1-2-10-5-6-11-4-3-7(8)9/h5-6,9H,3-4,7-8H2,1-2H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyYAWZMHRVBAUXOY-UHFFFAOYSA-M
XLogP0.01
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyethoxy)propanoate;1-(2-methoxyethyl)-3-methylimidazol-3-ium
CID 118645403
1-butyl-3-methylimidazol-3-ium;3-(2-ethoxyethoxy)propanoate
CID 118645085
1,3-bis(2-ethoxyethyl)imidazol-1-ium
CID 59112282
6-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-1-ium-1-yl]hexanoate
CID 166450120
4-(3-ethylimidazol-1-ium-1-yl)butanoic acid
CID 101204124
4-(3-butylimidazol-1-ium-1-yl)butanoate
CID 165151907
ethanol;3-ethoxypropanoate
CID 23090651
1,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-1-ium iodide
CID 87189348
2-(3-ethylimidazol-1-ium-1-yl)ethyl prop-2-enoate
CID 101336893
1-butyl-3-ethylimidazol-1-ium
CID 10313448
1,3-bis(3-methoxypropyl)imidazol-1-ium;propanoate
CID 170168110
1-butyl-3-[2-[2-[2-(3-butylimidazol-3-ium-1-yl)ethoxy]ethoxy]ethyl]imidazol-1-ium
CID 91820734

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium?
The IUPAC name of 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium (CID 118645263) is 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium.
What is the SMILES notation for 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium?
The canonical SMILES for 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium is CCOCCOCCC(=O)[O-].CCOCC[n+]1ccn(CC)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium?
The InChIKey is YAWZMHRVBAUXOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17N2O.C7H14O4/c1-3-10-5-6-11(9-10)7-8-12-4-2;1-2-10-5-6-11-4-3-7(8)9/h5-6,9H,3-4,7-8H2,1-2H3;2-6H2,1H3,(H,8,9)/q+1;/p-1.
What are the key properties of 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium?
3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium has a molecular weight of 330.43 g/mol, XLogP of 0.01, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium is sourced from PubChem (CID 118645263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).