octadecyl(tripropyl)phosphanium chloride

C27H58ClP — CID 87778623

IUPACoctadecyl(tripropyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCC[P+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C27H58P.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-28(24-6-2,25-7-3)26-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1
InChIKeyWBDSBNJMILQENN-UHFFFAOYSA-M
MW449.19 g/mol
LogP7.50
Rot. Bonds23

About octadecyl(tripropyl)phosphanium chloride

octadecyl(tripropyl)phosphanium chloride (PubChem CID 87778623) has the molecular formula C27H58ClP and a molecular weight of 449.19 g/mol. Its IUPAC name is octadecyl(tripropyl)phosphanium chloride.

Molecular Properties

Compound Nameoctadecyl(tripropyl)phosphanium chloride
PubChem CID87778623
Molecular FormulaC27H58ClP
Molecular Weight449.19 g/mol
Exact Mass448.40
IUPAC Nameoctadecyl(tripropyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCC[P+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C27H58P.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-28(24-6-2,25-7-3)26-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1
InChIKeyWBDSBNJMILQENN-UHFFFAOYSA-M
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.19
LogP ≤ 57.50
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

heptyl-pentyl-dipropylphosphanium
CID 87507955
butyl-dioctyl-propylphosphanium
CID 87508429
dioctyl(dipropyl)phosphanium bromide
CID 87778795
triheptyl(nonyl)phosphanium chloride
CID 87778209
dibutyl(didecyl)phosphanium chloride
CID 87777295
CID 11678181
CID 11678181
pentyl(tripropyl)phosphanium iodide
CID 87777868
tripentyl(propyl)phosphanium bromide
CID 87779046
dibutyl-pentyl-propylphosphanium
CID 87507891
tri(nonadecyl)-undecylphosphanium
CID 87808807
tridodecyl(heptyl)phosphanium
CID 87810947
dodecyl-tri(tetradecyl)phosphanium
CID 87807387

Frequently Asked Questions

What is the IUPAC name of octadecyl(tripropyl)phosphanium chloride?
The IUPAC name of octadecyl(tripropyl)phosphanium chloride (CID 87778623) is octadecyl(tripropyl)phosphanium chloride.
What is the SMILES notation for octadecyl(tripropyl)phosphanium chloride?
The canonical SMILES for octadecyl(tripropyl)phosphanium chloride is CCCCCCCCCCCCCCCCCC[P+](CCC)(CCC)CCC.[Cl-].
What is the InChIKey of octadecyl(tripropyl)phosphanium chloride?
The InChIKey is WBDSBNJMILQENN-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H58P.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-28(24-6-2,25-7-3)26-8-4;/h5-27H2,1-4H3;1H/q+1;/p-1.
What are the key properties of octadecyl(tripropyl)phosphanium chloride?
octadecyl(tripropyl)phosphanium chloride has a molecular weight of 449.19 g/mol, XLogP of 7.50, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl(tripropyl)phosphanium chloride is sourced from PubChem (CID 87778623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).