3-(2-methoxyethoxy)propanoate;tetrapropylazanium

C18H39NO4 — CID 118645219

IUPAC3-(2-methoxyethoxy)propanoate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.COCCOCCC(=O)[O-]
InChIInChI=1S/C12H28N.C6H12O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-9-4-5-10-3-2-6(7)8/h5-12H2,1-4H3;2-5H2,1H3,(H,7,8)/q+1;/p-1
InChIKeyHBRLKRCORAZICF-UHFFFAOYSA-M
MW333.51 g/mol
LogP2.23
Rot. Bonds14

About 3-(2-methoxyethoxy)propanoate;tetrapropylazanium

3-(2-methoxyethoxy)propanoate;tetrapropylazanium (PubChem CID 118645219) has the molecular formula C18H39NO4 and a molecular weight of 333.51 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propanoate;tetrapropylazanium.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propanoate;tetrapropylazanium
PubChem CID118645219
Molecular FormulaC18H39NO4
Molecular Weight333.51 g/mol
Exact Mass333.29
IUPAC Name3-(2-methoxyethoxy)propanoate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.COCCOCCC(=O)[O-]
InChIInChI=1S/C12H28N.C6H12O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-9-4-5-10-3-2-6(7)8/h5-12H2,1-4H3;2-5H2,1H3,(H,7,8)/q+1;/p-1
InChIKeyHBRLKRCORAZICF-UHFFFAOYSA-M
XLogP2.23
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
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
tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
CID 173388150
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645311
azanium;tetrapropylazanium;diacetate
CID 161363764
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
3-methoxy-3-oxopropanoate;tetrapropylazanium
CID 159144193
1-butylpyridin-1-ium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645211
ethanol;3-ethoxypropanoate
CID 23090651

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propanoate;tetrapropylazanium?
The IUPAC name of 3-(2-methoxyethoxy)propanoate;tetrapropylazanium (CID 118645219) is 3-(2-methoxyethoxy)propanoate;tetrapropylazanium.
What is the SMILES notation for 3-(2-methoxyethoxy)propanoate;tetrapropylazanium?
The canonical SMILES for 3-(2-methoxyethoxy)propanoate;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.COCCOCCC(=O)[O-].
What is the InChIKey of 3-(2-methoxyethoxy)propanoate;tetrapropylazanium?
The InChIKey is HBRLKRCORAZICF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.C6H12O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-9-4-5-10-3-2-6(7)8/h5-12H2,1-4H3;2-5H2,1H3,(H,7,8)/q+1;/p-1.
What are the key properties of 3-(2-methoxyethoxy)propanoate;tetrapropylazanium?
3-(2-methoxyethoxy)propanoate;tetrapropylazanium has a molecular weight of 333.51 g/mol, XLogP of 2.23, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propanoate;tetrapropylazanium is sourced from PubChem (CID 118645219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).