tetraoctylazanium hydroxide

C32H69NO — CID 10994503

IUPACtetraoctylazanium hydroxide
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[OH-]
InChIInChI=1S/C32H68N.H2O/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H2/q+1;/p-1
InChIKeyDCFYRBLFVWYBIJ-UHFFFAOYSA-M
MW483.91 g/mol
LogP11.07
Rot. Bonds28

About tetraoctylazanium hydroxide

tetraoctylazanium hydroxide (PubChem CID 10994503) has the molecular formula C32H69NO and a molecular weight of 483.91 g/mol. Its IUPAC name is tetraoctylazanium hydroxide.

Molecular Properties

Compound Nametetraoctylazanium hydroxide
PubChem CID10994503
Molecular FormulaC32H69NO
Molecular Weight483.91 g/mol
Exact Mass483.54
IUPAC Nametetraoctylazanium hydroxide
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[OH-]
InChIInChI=1S/C32H68N.H2O/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H2/q+1;/p-1
InChIKeyDCFYRBLFVWYBIJ-UHFFFAOYSA-M
XLogP11.07
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.91
LogP ≤ 511.07
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

bis(tetrahexylazanium);chloride;hydroxide
CID 177250603
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
hexadecyl(trihexyl)azanium
CID 19021069
pentyl-tri(tridecyl)azanium
CID 87897500
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516
octyl-tri(pentadecyl)azanium
CID 87809127
octadecyl-tri(undecyl)azanium
CID 87811974
decyl-tri(undecyl)azanium
CID 87810629
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406

Frequently Asked Questions

What is the IUPAC name of tetraoctylazanium hydroxide?
The IUPAC name of tetraoctylazanium hydroxide (CID 10994503) is tetraoctylazanium hydroxide.
What is the SMILES notation for tetraoctylazanium hydroxide?
The canonical SMILES for tetraoctylazanium hydroxide is CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[OH-].
What is the InChIKey of tetraoctylazanium hydroxide?
The InChIKey is DCFYRBLFVWYBIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68N.H2O/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of tetraoctylazanium hydroxide?
tetraoctylazanium hydroxide has a molecular weight of 483.91 g/mol, XLogP of 11.07, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraoctylazanium hydroxide is sourced from PubChem (CID 10994503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).