3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium

C18H37NO8 — CID 118645449

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[N+]1(C)CCOCC1
InChIInChI=1S/C10H20O6.C8H18NO2/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9(3-6-10-2)4-7-11-8-5-9/h2-9H2,1H3,(H,11,12);3-8H2,1-2H3/q;+1/p-1
InChIKeyBMBAQPHRNJJVAR-UHFFFAOYSA-M
MW395.49 g/mol
LogP-1.07
Rot. Bonds15

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium (PubChem CID 118645449) has the molecular formula C18H37NO8 and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
PubChem CID118645449
Molecular FormulaC18H37NO8
Molecular Weight395.49 g/mol
Exact Mass395.25
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[N+]1(C)CCOCC1
InChIInChI=1S/C10H20O6.C8H18NO2/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9(3-6-10-2)4-7-11-8-5-9/h2-9H2,1H3,(H,11,12);3-8H2,1-2H3/q;+1/p-1
InChIKeyBMBAQPHRNJJVAR-UHFFFAOYSA-M
XLogP-1.07
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 5-1.07
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

4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645555
bis(3-(2-methoxyethoxy)propanoate);bis(1-(2-methoxyethyl)-1-methylpiperidin-1-ium)
CID 161399909
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645311
2-dodecoxyethyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
CID 10694275
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
trimethyl-[3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]-3-oxopropyl]azanium
CID 3029482
5-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]pentyl 3-(4-methylmorpholin-4-ium-4-yl)propanoate
CID 10484596
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide
CID 54135629
4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
CID 154509592

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium (CID 118645449) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium is COCCOCCOCCOCCC(=O)[O-].COCC[N+]1(C)CCOCC1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium?
The InChIKey is BMBAQPHRNJJVAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O6.C8H18NO2/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9(3-6-10-2)4-7-11-8-5-9/h2-9H2,1H3,(H,11,12);3-8H2,1-2H3/q;+1/p-1.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium has a molecular weight of 395.49 g/mol, XLogP of -1.07, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 118645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).