2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium

C23H48NO3+ — CID 3670521

IUPAC2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C
InChIInChI=1S/C23H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)27-22-21-26-20-19-24(2,3)4/h5-22H2,1-4H3/q+1
InChIKeyUUVYZFJFBITZCI-UHFFFAOYSA-N
MW386.64 g/mol
LogP5.73
Rot. Bonds20

About 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium

2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium (PubChem CID 3670521) has the molecular formula C23H48NO3+ and a molecular weight of 386.64 g/mol. Its IUPAC name is 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium
PubChem CID3670521
Molecular FormulaC23H48NO3+
Molecular Weight386.64 g/mol
Exact Mass386.36
IUPAC Name2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C
InChIInChI=1S/C23H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)27-22-21-26-20-19-24(2,3)4/h5-22H2,1-4H3/q+1
InChIKeyUUVYZFJFBITZCI-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.64
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethyl-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl]azanium
CID 58233659
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
trimethyl(2-octadecanoyloxyethyl)azanium;hydroiodide
CID 133108690
3-dodecanoyloxypropyl(trimethyl)azanium
CID 11111693
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-dodecoxyethyl octadecanoate
CID 23042460

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium?
The IUPAC name of 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium (CID 3670521) is 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium is CCCCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C.
What is the InChIKey of 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium?
The InChIKey is UUVYZFJFBITZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)27-22-21-26-20-19-24(2,3)4/h5-22H2,1-4H3/q+1.
What are the key properties of 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium?
2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium has a molecular weight of 386.64 g/mol, XLogP of 5.73, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexadecanoyloxyethoxy)ethyl-trimethylazanium is sourced from PubChem (CID 3670521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).