2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate

C19H41NO8 — CID 118645100

IUPAC2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOCC[N+](C)(C)CCOCCOC.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C11H26NO3.C8H16O5/c1-5-14-8-6-12(2,3)7-9-15-11-10-13-4;1-11-4-5-13-7-6-12-3-2-8(9)10/h5-11H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1
InChIKeyNKQCKWSRZGSETP-UHFFFAOYSA-M
MW411.54 g/mol
LogP-0.43
Rot. Bonds19

About 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate

2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 118645100) has the molecular formula C19H41NO8 and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID118645100
Molecular FormulaC19H41NO8
Molecular Weight411.54 g/mol
Exact Mass411.28
IUPAC Name2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOCC[N+](C)(C)CCOCCOC.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C11H26NO3.C8H16O5/c1-5-14-8-6-12(2,3)7-9-15-11-10-13-4;1-11-4-5-13-7-6-12-3-2-8(9)10/h5-11H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1
InChIKeyNKQCKWSRZGSETP-UHFFFAOYSA-M
XLogP-0.43
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
ethanol;3-ethoxypropanoate
CID 23090651
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 118645100) is 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate is CCOCC[N+](C)(C)CCOCCOC.COCCOCCOCCC(=O)[O-].
What is the InChIKey of 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is NKQCKWSRZGSETP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO3.C8H16O5/c1-5-14-8-6-12(2,3)7-9-15-11-10-13-4;1-11-4-5-13-7-6-12-3-2-8(9)10/h5-11H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1.
What are the key properties of 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate?
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 411.54 g/mol, XLogP of -0.43, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 118645100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).