benzyl(tripropyl)phosphanium bromide

C16H28BrP — CID 68744786

IUPACbenzyl(tripropyl)phosphanium bromide
SMILESCCC[P+](CCC)(CCC)Cc1ccccc1.[Br-]
InChIInChI=1S/C16H28P.BrH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1
InChIKeyRVRYXDDGQFDMBL-UHFFFAOYSA-M
MW331.28 g/mol
LogP2.44
Rot. Bonds8

About benzyl(tripropyl)phosphanium bromide

benzyl(tripropyl)phosphanium bromide (PubChem CID 68744786) has the molecular formula C16H28BrP and a molecular weight of 331.28 g/mol. Its IUPAC name is benzyl(tripropyl)phosphanium bromide.

Molecular Properties

Compound Namebenzyl(tripropyl)phosphanium bromide
PubChem CID68744786
Molecular FormulaC16H28BrP
Molecular Weight331.28 g/mol
Exact Mass330.11
IUPAC Namebenzyl(tripropyl)phosphanium bromide
SMILESCCC[P+](CCC)(CCC)Cc1ccccc1.[Br-]
InChIInChI=1S/C16H28P.BrH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1
InChIKeyRVRYXDDGQFDMBL-UHFFFAOYSA-M
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.44
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

dibenzyl-hexyl-propylphosphanium
CID 175204053
benzyl-pent-4-enyl-dipropylphosphanium
CID 69022756
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(ethyl)phosphanium
CID 23415376
benzyl-methyl-dipropylphosphanium
CID 23546516
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
tribenzyl(decyl)phosphanium iodide
CID 69307604
CID 66672385
CID 66672385
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168

Frequently Asked Questions

What is the IUPAC name of benzyl(tripropyl)phosphanium bromide?
The IUPAC name of benzyl(tripropyl)phosphanium bromide (CID 68744786) is benzyl(tripropyl)phosphanium bromide.
What is the SMILES notation for benzyl(tripropyl)phosphanium bromide?
The canonical SMILES for benzyl(tripropyl)phosphanium bromide is CCC[P+](CCC)(CCC)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl(tripropyl)phosphanium bromide?
The InChIKey is RVRYXDDGQFDMBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28P.BrH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(tripropyl)phosphanium bromide?
benzyl(tripropyl)phosphanium bromide has a molecular weight of 331.28 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(tripropyl)phosphanium bromide is sourced from PubChem (CID 68744786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).