trioctylazanium hydroxide

C24H53NO — CID 22253318

IUPACtrioctylazanium hydroxide
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[OH-]
InChIInChI=1S/C24H51N.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-24H2,1-3H3;1H2
InChIKeyJBFRIFLOBVAOCD-UHFFFAOYSA-N
MW371.69 g/mol
LogP6.78
Rot. Bonds21

About trioctylazanium hydroxide

trioctylazanium hydroxide (PubChem CID 22253318) has the molecular formula C24H53NO and a molecular weight of 371.69 g/mol. Its IUPAC name is trioctylazanium hydroxide.

Molecular Properties

Compound Nametrioctylazanium hydroxide
PubChem CID22253318
Molecular FormulaC24H53NO
Molecular Weight371.69 g/mol
Exact Mass371.41
IUPAC Nametrioctylazanium hydroxide
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[OH-]
InChIInChI=1S/C24H51N.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-24H2,1-3H3;1H2
InChIKeyJBFRIFLOBVAOCD-UHFFFAOYSA-N
XLogP6.78
TPSA34.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
dibutyl(octadecyl)azanium
CID 18405855
tripentylazanium
CID 6993016
butyl-hexyl-pentylazanium chloride
CID 139955344
diethyl(tricosyl)azanium chloride
CID 141276977
iodomethane;octadecane
CID 174964097
dibutyl(propyl)azanium;propane
CID 176561403
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of trioctylazanium hydroxide?
The IUPAC name of trioctylazanium hydroxide (CID 22253318) is trioctylazanium hydroxide.
What is the SMILES notation for trioctylazanium hydroxide?
The canonical SMILES for trioctylazanium hydroxide is CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[OH-].
What is the InChIKey of trioctylazanium hydroxide?
The InChIKey is JBFRIFLOBVAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-24H2,1-3H3;1H2.
What are the key properties of trioctylazanium hydroxide?
trioctylazanium hydroxide has a molecular weight of 371.69 g/mol, XLogP of 6.78, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trioctylazanium hydroxide is sourced from PubChem (CID 22253318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).