2-methoxyethyl-methyl-dioctylazanium

C20H44NO+ — CID 19839301

IUPAC2-methoxyethyl-methyl-dioctylazanium
SMILESCCCCCCCC[N+](C)(CCCCCCCC)CCOC
InChIInChI=1S/C20H44NO/c1-5-7-9-11-13-15-17-21(3,19-20-22-4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3/q+1
InChIKeyLYZWAHNDJAJYQP-UHFFFAOYSA-N
MW314.58 g/mol
LogP5.80
Rot. Bonds17

About 2-methoxyethyl-methyl-dioctylazanium

2-methoxyethyl-methyl-dioctylazanium (PubChem CID 19839301) has the molecular formula C20H44NO+ and a molecular weight of 314.58 g/mol. Its IUPAC name is 2-methoxyethyl-methyl-dioctylazanium.

Molecular Properties

Compound Name2-methoxyethyl-methyl-dioctylazanium
PubChem CID19839301
Molecular FormulaC20H44NO+
Molecular Weight314.58 g/mol
Exact Mass314.34
IUPAC Name2-methoxyethyl-methyl-dioctylazanium
SMILESCCCCCCCC[N+](C)(CCCCCCCC)CCOC
InChIInChI=1S/C20H44NO/c1-5-7-9-11-13-15-17-21(3,19-20-22-4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3/q+1
InChIKeyLYZWAHNDJAJYQP-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-methyl-dioctylazanium?
The IUPAC name of 2-methoxyethyl-methyl-dioctylazanium (CID 19839301) is 2-methoxyethyl-methyl-dioctylazanium.
What is the SMILES notation for 2-methoxyethyl-methyl-dioctylazanium?
The canonical SMILES for 2-methoxyethyl-methyl-dioctylazanium is CCCCCCCC[N+](C)(CCCCCCCC)CCOC.
What is the InChIKey of 2-methoxyethyl-methyl-dioctylazanium?
The InChIKey is LYZWAHNDJAJYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO/c1-5-7-9-11-13-15-17-21(3,19-20-22-4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3/q+1.
What are the key properties of 2-methoxyethyl-methyl-dioctylazanium?
2-methoxyethyl-methyl-dioctylazanium has a molecular weight of 314.58 g/mol, XLogP of 5.80, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-methyl-dioctylazanium is sourced from PubChem (CID 19839301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).