dibutyl-pentyl-propylphosphanium

C16H36P+ — CID 87507891

IUPACdibutyl-pentyl-propylphosphanium
SMILESCCCCC[P+](CCC)(CCCC)CCCC
InChIInChI=1S/C16H36P/c1-5-9-12-16-17(13-8-4,14-10-6-2)15-11-7-3/h5-16H2,1-4H3/q+1
InChIKeyOWZATULSFNGTCF-UHFFFAOYSA-N
MW259.44 g/mol
LogP6.20
Rot. Bonds12

About dibutyl-pentyl-propylphosphanium

dibutyl-pentyl-propylphosphanium (PubChem CID 87507891) has the molecular formula C16H36P+ and a molecular weight of 259.44 g/mol. Its IUPAC name is dibutyl-pentyl-propylphosphanium.

Molecular Properties

Compound Namedibutyl-pentyl-propylphosphanium
PubChem CID87507891
Molecular FormulaC16H36P+
Molecular Weight259.44 g/mol
Exact Mass259.25
IUPAC Namedibutyl-pentyl-propylphosphanium
SMILESCCCCC[P+](CCC)(CCCC)CCCC
InChIInChI=1S/C16H36P/c1-5-9-12-16-17(13-8-4,14-10-6-2)15-11-7-3/h5-16H2,1-4H3/q+1
InChIKeyOWZATULSFNGTCF-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 56.20
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

butyl-dioctyl-propylphosphanium
CID 87508429
tripentyl(propyl)phosphanium bromide
CID 87779046
pentyl(tripropyl)phosphanium iodide
CID 87777868
heptyl-pentyl-dipropylphosphanium
CID 87507955
dioctyl(dipropyl)phosphanium bromide
CID 87778795
octadecyl(tripropyl)phosphanium chloride
CID 87778623
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209

Frequently Asked Questions

What is the IUPAC name of dibutyl-pentyl-propylphosphanium?
The IUPAC name of dibutyl-pentyl-propylphosphanium (CID 87507891) is dibutyl-pentyl-propylphosphanium.
What is the SMILES notation for dibutyl-pentyl-propylphosphanium?
The canonical SMILES for dibutyl-pentyl-propylphosphanium is CCCCC[P+](CCC)(CCCC)CCCC.
What is the InChIKey of dibutyl-pentyl-propylphosphanium?
The InChIKey is OWZATULSFNGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P/c1-5-9-12-16-17(13-8-4,14-10-6-2)15-11-7-3/h5-16H2,1-4H3/q+1.
What are the key properties of dibutyl-pentyl-propylphosphanium?
dibutyl-pentyl-propylphosphanium has a molecular weight of 259.44 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-pentyl-propylphosphanium is sourced from PubChem (CID 87507891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).