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

C16H35NO6 — CID 118645036

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.COCCOCCOCCOCCC(=O)[O-]
InChIInChI=1S/C10H20O6.C6H16N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-6-7(2,3)4/h2-9H2,1H3,(H,11,12);5-6H2,1-4H3/q;+1/p-1
InChIKeySHSXOENCPHLKNI-UHFFFAOYSA-M
MW337.46 g/mol
LogP-0.07
Rot. Bonds14

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium (PubChem CID 118645036) has the molecular formula C16H35NO6 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium
PubChem CID118645036
Molecular FormulaC16H35NO6
Molecular Weight337.46 g/mol
Exact Mass337.25
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.COCCOCCOCCOCCC(=O)[O-]
InChIInChI=1S/C10H20O6.C6H16N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-6-7(2,3)4/h2-9H2,1H3,(H,11,12);5-6H2,1-4H3/q;+1/p-1
InChIKeySHSXOENCPHLKNI-UHFFFAOYSA-M
XLogP-0.07
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium (CID 118645036) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium is CCC[N+](C)(C)C.COCCOCCOCCOCCC(=O)[O-].
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium?
The InChIKey is SHSXOENCPHLKNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O6.C6H16N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-6-7(2,3)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;trimethyl(propyl)azanium?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium has a molecular weight of 337.46 g/mol, XLogP of -0.07, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;trimethyl(propyl)azanium is sourced from PubChem (CID 118645036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).