didecyl-(2-hexoxyethyl)-methylazanium fluoride

C29H62FNO — CID 19839298

IUPACdidecyl-(2-hexoxyethyl)-methylazanium fluoride
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCOCCCCCC.[F-]
InChIInChI=1S/C29H62NO.FH/c1-5-8-11-14-16-18-20-22-25-30(4,27-29-31-28-24-13-10-7-3)26-23-21-19-17-15-12-9-6-2;/h5-29H2,1-4H3;1H/q+1;/p-1
InChIKeyAONXSIQOWAZSDE-UHFFFAOYSA-M
MW459.82 g/mol
LogP6.32
Rot. Bonds26

About didecyl-(2-hexoxyethyl)-methylazanium fluoride

didecyl-(2-hexoxyethyl)-methylazanium fluoride (PubChem CID 19839298) has the molecular formula C29H62FNO and a molecular weight of 459.82 g/mol. Its IUPAC name is didecyl-(2-hexoxyethyl)-methylazanium fluoride.

Molecular Properties

Compound Namedidecyl-(2-hexoxyethyl)-methylazanium fluoride
PubChem CID19839298
Molecular FormulaC29H62FNO
Molecular Weight459.82 g/mol
Exact Mass459.48
IUPAC Namedidecyl-(2-hexoxyethyl)-methylazanium fluoride
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCOCCCCCC.[F-]
InChIInChI=1S/C29H62NO.FH/c1-5-8-11-14-16-18-20-22-25-30(4,27-29-31-28-24-13-10-7-3)26-23-21-19-17-15-12-9-6-2;/h5-29H2,1-4H3;1H/q+1;/p-1
InChIKeyAONXSIQOWAZSDE-UHFFFAOYSA-M
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.82
LogP ≤ 56.32
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

3-aminopropyl-methyl-bis(2-tetradecoxyethyl)azanium
CID 15521500
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
decyl-heptyl-hexyl-methylazanium
CID 87904248
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
2-methoxyethyl-methyl-dioctylazanium
CID 19839301
methyl-tri(undecyl)azanium bromide
CID 15066122
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

Frequently Asked Questions

What is the IUPAC name of didecyl-(2-hexoxyethyl)-methylazanium fluoride?
The IUPAC name of didecyl-(2-hexoxyethyl)-methylazanium fluoride (CID 19839298) is didecyl-(2-hexoxyethyl)-methylazanium fluoride.
What is the SMILES notation for didecyl-(2-hexoxyethyl)-methylazanium fluoride?
The canonical SMILES for didecyl-(2-hexoxyethyl)-methylazanium fluoride is CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCOCCCCCC.[F-].
What is the InChIKey of didecyl-(2-hexoxyethyl)-methylazanium fluoride?
The InChIKey is AONXSIQOWAZSDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H62NO.FH/c1-5-8-11-14-16-18-20-22-25-30(4,27-29-31-28-24-13-10-7-3)26-23-21-19-17-15-12-9-6-2;/h5-29H2,1-4H3;1H/q+1;/p-1.
What are the key properties of didecyl-(2-hexoxyethyl)-methylazanium fluoride?
didecyl-(2-hexoxyethyl)-methylazanium fluoride has a molecular weight of 459.82 g/mol, XLogP of 6.32, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-(2-hexoxyethyl)-methylazanium fluoride is sourced from PubChem (CID 19839298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).