tripentyl(propyl)phosphanium bromide

C18H40BrP — CID 87779046

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

About tripentyl(propyl)phosphanium bromide

tripentyl(propyl)phosphanium bromide (PubChem CID 87779046) has the molecular formula C18H40BrP and a molecular weight of 367.40 g/mol. Its IUPAC name is tripentyl(propyl)phosphanium bromide.

Molecular Properties

Compound Nametripentyl(propyl)phosphanium bromide
PubChem CID87779046
Molecular FormulaC18H40BrP
Molecular Weight367.40 g/mol
Exact Mass366.21
IUPAC Nametripentyl(propyl)phosphanium bromide
SMILESCCCCC[P+](CCC)(CCCCC)CCCCC.[Br-]
InChIInChI=1S/C18H40P.BrH/c1-5-9-12-16-19(15-8-4,17-13-10-6-2)18-14-11-7-3;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyQDERYNFEBUQPHO-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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Related Compounds

dioctyl(dipropyl)phosphanium bromide
CID 87778795
pentyl(tripropyl)phosphanium iodide
CID 87777868
dibutyl-pentyl-propylphosphanium
CID 87507891
heptyl-pentyl-dipropylphosphanium
CID 87507955
butyl-dioctyl-propylphosphanium
CID 87508429
octadecyl(tripropyl)phosphanium chloride
CID 87778623
tributyl(pentadecyl)phosphanium bromide
CID 86639781
heptyl-tri(undecyl)phosphanium
CID 87895668
tridodecyl(heptyl)phosphanium
CID 87810947
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687

Frequently Asked Questions

What is the IUPAC name of tripentyl(propyl)phosphanium bromide?
The IUPAC name of tripentyl(propyl)phosphanium bromide (CID 87779046) is tripentyl(propyl)phosphanium bromide.
What is the SMILES notation for tripentyl(propyl)phosphanium bromide?
The canonical SMILES for tripentyl(propyl)phosphanium bromide is CCCCC[P+](CCC)(CCCCC)CCCCC.[Br-].
What is the InChIKey of tripentyl(propyl)phosphanium bromide?
The InChIKey is QDERYNFEBUQPHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40P.BrH/c1-5-9-12-16-19(15-8-4,17-13-10-6-2)18-14-11-7-3;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tripentyl(propyl)phosphanium bromide?
tripentyl(propyl)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 tripentyl(propyl)phosphanium bromide is sourced from PubChem (CID 87779046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).