3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium

C16H35NO7 — CID 118645294

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[N+](C)(C)C
InChIInChI=1S/C10H20O6.C6H16NO/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-7(2,3)5-6-8-4/h2-9H2,1H3,(H,11,12);5-6H2,1-4H3/q;+1/p-1
InChIKeyLCCQNQBDSJXFRE-UHFFFAOYSA-M
MW353.46 g/mol
LogP-0.84
Rot. Bonds15

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium (PubChem CID 118645294) has the molecular formula C16H35NO7 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
PubChem CID118645294
Molecular FormulaC16H35NO7
Molecular Weight353.46 g/mol
Exact Mass353.24
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[N+](C)(C)C
InChIInChI=1S/C10H20O6.C6H16NO/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-7(2,3)5-6-8-4/h2-9H2,1H3,(H,11,12);5-6H2,1-4H3/q;+1/p-1
InChIKeyLCCQNQBDSJXFRE-UHFFFAOYSA-M
XLogP-0.84
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645311
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
CID 157230950

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium (CID 118645294) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium is COCCOCCOCCOCCC(=O)[O-].COCC[N+](C)(C)C.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium?
The InChIKey is LCCQNQBDSJXFRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O6.C6H16NO/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-7(2,3)5-6-8-4/h2-9H2,1H3,(H,11,12);5-6H2,1-4H3/q;+1/p-1.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium has a molecular weight of 353.46 g/mol, XLogP of -0.84, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium is sourced from PubChem (CID 118645294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).