dibenzyl(dipentyl)phosphanium chloride

C24H36ClP — CID 69306220

IUPACdibenzyl(dipentyl)phosphanium chloride
SMILESCCCCC[P+](CCCCC)(Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C24H36P.ClH/c1-3-5-13-19-25(20-14-6-4-2,21-23-15-9-7-10-16-23)22-24-17-11-8-12-18-24;/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3;1H/q+1;/p-1
InChIKeyOIXBEDXJOSLALL-UHFFFAOYSA-M
MW390.98 g/mol
LogP4.79
Rot. Bonds12

About dibenzyl(dipentyl)phosphanium chloride

dibenzyl(dipentyl)phosphanium chloride (PubChem CID 69306220) has the molecular formula C24H36ClP and a molecular weight of 390.98 g/mol. Its IUPAC name is dibenzyl(dipentyl)phosphanium chloride.

Molecular Properties

Compound Namedibenzyl(dipentyl)phosphanium chloride
PubChem CID69306220
Molecular FormulaC24H36ClP
Molecular Weight390.98 g/mol
Exact Mass390.22
IUPAC Namedibenzyl(dipentyl)phosphanium chloride
SMILESCCCCC[P+](CCCCC)(Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C24H36P.ClH/c1-3-5-13-19-25(20-14-6-4-2,21-23-15-9-7-10-16-23)22-24-17-11-8-12-18-24;/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3;1H/q+1;/p-1
InChIKeyOIXBEDXJOSLALL-UHFFFAOYSA-M
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 54.79
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

dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
dibenzyl-hexyl-propylphosphanium
CID 175204053
tribenzyl(decyl)phosphanium iodide
CID 69307604
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
benzyl-decyl-dimethylphosphanium chloride
CID 67153395
benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
CID 174799231
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
benzyl(tripropyl)phosphanium bromide
CID 68744786

Frequently Asked Questions

What is the IUPAC name of dibenzyl(dipentyl)phosphanium chloride?
The IUPAC name of dibenzyl(dipentyl)phosphanium chloride (CID 69306220) is dibenzyl(dipentyl)phosphanium chloride.
What is the SMILES notation for dibenzyl(dipentyl)phosphanium chloride?
The canonical SMILES for dibenzyl(dipentyl)phosphanium chloride is CCCCC[P+](CCCCC)(Cc1ccccc1)Cc1ccccc1.[Cl-].
What is the InChIKey of dibenzyl(dipentyl)phosphanium chloride?
The InChIKey is OIXBEDXJOSLALL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36P.ClH/c1-3-5-13-19-25(20-14-6-4-2,21-23-15-9-7-10-16-23)22-24-17-11-8-12-18-24;/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dibenzyl(dipentyl)phosphanium chloride?
dibenzyl(dipentyl)phosphanium chloride has a molecular weight of 390.98 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(dipentyl)phosphanium chloride is sourced from PubChem (CID 69306220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).