3-(2-ethoxyethoxy)propanoate;tetrapropylazanium

C19H41NO4 — CID 118645065

IUPAC3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.CCOCCOCCC(=O)[O-]
InChIInChI=1S/C12H28N.C7H14O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-10-5-6-11-4-3-7(8)9/h5-12H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyDYBJIRXLQWOSLG-UHFFFAOYSA-M
MW347.54 g/mol
LogP2.62
Rot. Bonds15

About 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium

3-(2-ethoxyethoxy)propanoate;tetrapropylazanium (PubChem CID 118645065) has the molecular formula C19H41NO4 and a molecular weight of 347.54 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
PubChem CID118645065
Molecular FormulaC19H41NO4
Molecular Weight347.54 g/mol
Exact Mass347.30
IUPAC Name3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.CCOCCOCCC(=O)[O-]
InChIInChI=1S/C12H28N.C7H14O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-10-5-6-11-4-3-7(8)9/h5-12H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
InChIKeyDYBJIRXLQWOSLG-UHFFFAOYSA-M
XLogP2.62
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 52.62
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-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
ethanol;3-ethoxypropanoate
CID 23090651
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
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
2-ethoxyethyl(triethyl)azanium;pentanoate
CID 87070975
azanium;tetrapropylazanium;diacetate
CID 161363764
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium?
The IUPAC name of 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium (CID 118645065) is 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium.
What is the SMILES notation for 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium?
The canonical SMILES for 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.CCOCCOCCC(=O)[O-].
What is the InChIKey of 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium?
The InChIKey is DYBJIRXLQWOSLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.C7H14O4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-10-5-6-11-4-3-7(8)9/h5-12H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1.
What are the key properties of 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium?
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium has a molecular weight of 347.54 g/mol, XLogP of 2.62, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)propanoate;tetrapropylazanium is sourced from PubChem (CID 118645065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).