dibutyl(didecyl)phosphanium chloride

C28H60ClP — CID 87777295

IUPACdibutyl(didecyl)phosphanium chloride
SMILESCCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C28H60P.ClH/c1-5-9-13-15-17-19-21-23-27-29(25-11-7-3,26-12-8-4)28-24-22-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKeyPTIXSTHKNZKSIN-UHFFFAOYSA-M
MW463.22 g/mol
LogP7.89
Rot. Bonds24

About dibutyl(didecyl)phosphanium chloride

dibutyl(didecyl)phosphanium chloride (PubChem CID 87777295) has the molecular formula C28H60ClP and a molecular weight of 463.22 g/mol. Its IUPAC name is dibutyl(didecyl)phosphanium chloride.

Molecular Properties

Compound Namedibutyl(didecyl)phosphanium chloride
PubChem CID87777295
Molecular FormulaC28H60ClP
Molecular Weight463.22 g/mol
Exact Mass462.41
IUPAC Namedibutyl(didecyl)phosphanium chloride
SMILESCCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C28H60P.ClH/c1-5-9-13-15-17-19-21-23-27-29(25-11-7-3,26-12-8-4)28-24-22-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKeyPTIXSTHKNZKSIN-UHFFFAOYSA-M
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.22
LogP ≤ 57.89
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

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
triheptyl(nonyl)phosphanium chloride
CID 87778209
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
tributyl(pentadecyl)phosphanium bromide
CID 86639781
CID 11678181
CID 11678181
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(tetradecyl)phosphanium
CID 87807444

Frequently Asked Questions

What is the IUPAC name of dibutyl(didecyl)phosphanium chloride?
The IUPAC name of dibutyl(didecyl)phosphanium chloride (CID 87777295) is dibutyl(didecyl)phosphanium chloride.
What is the SMILES notation for dibutyl(didecyl)phosphanium chloride?
The canonical SMILES for dibutyl(didecyl)phosphanium chloride is CCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[Cl-].
What is the InChIKey of dibutyl(didecyl)phosphanium chloride?
The InChIKey is PTIXSTHKNZKSIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H60P.ClH/c1-5-9-13-15-17-19-21-23-27-29(25-11-7-3,26-12-8-4)28-24-22-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dibutyl(didecyl)phosphanium chloride?
dibutyl(didecyl)phosphanium chloride has a molecular weight of 463.22 g/mol, XLogP of 7.89, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(didecyl)phosphanium chloride is sourced from PubChem (CID 87777295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).