tributyl(tetradecyl)phosphanium;hydrochloride

C26H57ClP+ — CID 174356209

IUPACtributyl(tetradecyl)phosphanium;hydrochloride
SMILESCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl
InChIInChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;
InChIKeyAKUNSPZHHSNFFX-UHFFFAOYSA-N
MW436.17 g/mol
LogP10.53
Rot. Bonds22

About tributyl(tetradecyl)phosphanium;hydrochloride

tributyl(tetradecyl)phosphanium;hydrochloride (PubChem CID 174356209) has the molecular formula C26H57ClP+ and a molecular weight of 436.17 g/mol. Its IUPAC name is tributyl(tetradecyl)phosphanium;hydrochloride.

Molecular Properties

Compound Nametributyl(tetradecyl)phosphanium;hydrochloride
PubChem CID174356209
Molecular FormulaC26H57ClP+
Molecular Weight436.17 g/mol
Exact Mass435.39
IUPAC Nametributyl(tetradecyl)phosphanium;hydrochloride
SMILESCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl
InChIInChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;
InChIKeyAKUNSPZHHSNFFX-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.17
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(undecyl)phosphanium
CID 87895668
nonyl-tri(pentadecyl)phosphanium
CID 87807671
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of tributyl(tetradecyl)phosphanium;hydrochloride?
The IUPAC name of tributyl(tetradecyl)phosphanium;hydrochloride (CID 174356209) is tributyl(tetradecyl)phosphanium;hydrochloride.
What is the SMILES notation for tributyl(tetradecyl)phosphanium;hydrochloride?
The canonical SMILES for tributyl(tetradecyl)phosphanium;hydrochloride is CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl.
What is the InChIKey of tributyl(tetradecyl)phosphanium;hydrochloride?
The InChIKey is AKUNSPZHHSNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;.
What are the key properties of tributyl(tetradecyl)phosphanium;hydrochloride?
tributyl(tetradecyl)phosphanium;hydrochloride has a molecular weight of 436.17 g/mol, XLogP of 10.53, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tetradecyl)phosphanium;hydrochloride is sourced from PubChem (CID 174356209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).