tributyl(tridecyl)phosphanium

C25H54P+ — CID 87194469

IUPACtributyl(tridecyl)phosphanium
SMILESCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H54P/c1-5-9-13-14-15-16-17-18-19-20-21-25-26(22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3/q+1
InChIKeyIZFIPNGPIXOVCW-UHFFFAOYSA-N
MW385.68 g/mol
LogP9.72
Rot. Bonds21

About tributyl(tridecyl)phosphanium

tributyl(tridecyl)phosphanium (PubChem CID 87194469) has the molecular formula C25H54P+ and a molecular weight of 385.68 g/mol. Its IUPAC name is tributyl(tridecyl)phosphanium.

Molecular Properties

Compound Nametributyl(tridecyl)phosphanium
PubChem CID87194469
Molecular FormulaC25H54P+
Molecular Weight385.68 g/mol
Exact Mass385.40
IUPAC Nametributyl(tridecyl)phosphanium
SMILESCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H54P/c1-5-9-13-14-15-16-17-18-19-20-21-25-26(22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3/q+1
InChIKeyIZFIPNGPIXOVCW-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 59.72
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(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
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
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of tributyl(tridecyl)phosphanium?
The IUPAC name of tributyl(tridecyl)phosphanium (CID 87194469) is tributyl(tridecyl)phosphanium.
What is the SMILES notation for tributyl(tridecyl)phosphanium?
The canonical SMILES for tributyl(tridecyl)phosphanium is CCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(tridecyl)phosphanium?
The InChIKey is IZFIPNGPIXOVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54P/c1-5-9-13-14-15-16-17-18-19-20-21-25-26(22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3/q+1.
What are the key properties of tributyl(tridecyl)phosphanium?
tributyl(tridecyl)phosphanium has a molecular weight of 385.68 g/mol, XLogP of 9.72, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tridecyl)phosphanium is sourced from PubChem (CID 87194469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).