tributyl(pentadecyl)phosphanium bromide

C27H58BrP — CID 86639781

IUPACtributyl(pentadecyl)phosphanium bromide
SMILESCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C27H58P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-27-28(24-10-6-2,25-11-7-3)26-12-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1
InChIKeyDFBDDNREQMITIP-UHFFFAOYSA-M
MW493.64 g/mol
LogP7.50
Rot. Bonds23

About tributyl(pentadecyl)phosphanium bromide

tributyl(pentadecyl)phosphanium bromide (PubChem CID 86639781) has the molecular formula C27H58BrP and a molecular weight of 493.64 g/mol. Its IUPAC name is tributyl(pentadecyl)phosphanium bromide.

Molecular Properties

Compound Nametributyl(pentadecyl)phosphanium bromide
PubChem CID86639781
Molecular FormulaC27H58BrP
Molecular Weight493.64 g/mol
Exact Mass492.35
IUPAC Nametributyl(pentadecyl)phosphanium bromide
SMILESCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C27H58P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-27-28(24-10-6-2,25-11-7-3)26-12-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1
InChIKeyDFBDDNREQMITIP-UHFFFAOYSA-M
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 57.50
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
dibutyl(didecyl)phosphanium chloride
CID 87777295
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(undecyl)phosphanium
CID 87895668
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of tributyl(pentadecyl)phosphanium bromide?
The IUPAC name of tributyl(pentadecyl)phosphanium bromide (CID 86639781) is tributyl(pentadecyl)phosphanium bromide.
What is the SMILES notation for tributyl(pentadecyl)phosphanium bromide?
The canonical SMILES for tributyl(pentadecyl)phosphanium bromide is CCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(pentadecyl)phosphanium bromide?
The InChIKey is DFBDDNREQMITIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H58P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-27-28(24-10-6-2,25-11-7-3)26-12-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(pentadecyl)phosphanium bromide?
tributyl(pentadecyl)phosphanium bromide has a molecular weight of 493.64 g/mol, XLogP of 7.50, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(pentadecyl)phosphanium bromide is sourced from PubChem (CID 86639781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).