tributyl(hexyl)phosphanium bromide

C18H40BrP — CID 22712793

IUPACtributyl(hexyl)phosphanium bromide
SMILESCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C18H40P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyZBZFETNHIRABGK-UHFFFAOYSA-M
MW367.40 g/mol
LogP3.99
Rot. Bonds14

About tributyl(hexyl)phosphanium bromide

tributyl(hexyl)phosphanium bromide (PubChem CID 22712793) has the molecular formula C18H40BrP and a molecular weight of 367.40 g/mol. Its IUPAC name is tributyl(hexyl)phosphanium bromide.

Molecular Properties

Compound Nametributyl(hexyl)phosphanium bromide
PubChem CID22712793
Molecular FormulaC18H40BrP
Molecular Weight367.40 g/mol
Exact Mass366.21
IUPAC Nametributyl(hexyl)phosphanium bromide
SMILESCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C18H40P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyZBZFETNHIRABGK-UHFFFAOYSA-M
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of tributyl(hexyl)phosphanium bromide?
The IUPAC name of tributyl(hexyl)phosphanium bromide (CID 22712793) is tributyl(hexyl)phosphanium bromide.
What is the SMILES notation for tributyl(hexyl)phosphanium bromide?
The canonical SMILES for tributyl(hexyl)phosphanium bromide is CCCCCC[P+](CCCC)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(hexyl)phosphanium bromide?
The InChIKey is ZBZFETNHIRABGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(hexyl)phosphanium bromide?
tributyl(hexyl)phosphanium bromide has a molecular weight of 367.40 g/mol, XLogP of 3.99, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hexyl)phosphanium bromide is sourced from PubChem (CID 22712793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).