tetrapropylphosphanium bromide

C12H28BrP — CID 11011483

IUPACtetrapropylphosphanium bromide
SMILESCCC[P+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C12H28P.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeySMGSPBKMKYMJPQ-UHFFFAOYSA-M
MW283.23 g/mol
LogP1.65
Rot. Bonds8

About tetrapropylphosphanium bromide

tetrapropylphosphanium bromide (PubChem CID 11011483) has the molecular formula C12H28BrP and a molecular weight of 283.23 g/mol. Its IUPAC name is tetrapropylphosphanium bromide.

Molecular Properties

Compound Nametetrapropylphosphanium bromide
PubChem CID11011483
Molecular FormulaC12H28BrP
Molecular Weight283.23 g/mol
Exact Mass282.11
IUPAC Nametetrapropylphosphanium bromide
SMILESCCC[P+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C12H28P.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeySMGSPBKMKYMJPQ-UHFFFAOYSA-M
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

boranuide;tetrapropylphosphanium
CID 14746814
tetrapropylphosphanium fluoride
CID 23053641
tripentyl(propyl)phosphanium bromide
CID 87779046
tetraethylphosphanium;tetramethylphosphanium;tetrapropylphosphanium;tribromide
CID 173320390
dioctyl(dipropyl)phosphanium bromide
CID 87778795
pentyl(tripropyl)phosphanium iodide
CID 87777868
dibutyl-pentyl-propylphosphanium
CID 87507891
2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
CID 59798475
heptyl-pentyl-dipropylphosphanium
CID 87507955
iodomethyl(tripropyl)phosphanium
CID 175228557
ethyl-[2-[ethyl(dipropyl)phosphaniumyl]ethyl]-dipropylphosphanium
CID 58445068
butyl-dioctyl-propylphosphanium
CID 87508429

Frequently Asked Questions

What is the IUPAC name of tetrapropylphosphanium bromide?
The IUPAC name of tetrapropylphosphanium bromide (CID 11011483) is tetrapropylphosphanium bromide.
What is the SMILES notation for tetrapropylphosphanium bromide?
The canonical SMILES for tetrapropylphosphanium bromide is CCC[P+](CCC)(CCC)CCC.[Br-].
What is the InChIKey of tetrapropylphosphanium bromide?
The InChIKey is SMGSPBKMKYMJPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28P.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrapropylphosphanium bromide?
tetrapropylphosphanium bromide has a molecular weight of 283.23 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylphosphanium bromide is sourced from PubChem (CID 11011483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).