dibutyl(didecyl)phosphanium iodide

C28H60IP — CID 87776919

IUPACdibutyl(didecyl)phosphanium iodide
SMILESCCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[I-]
InChIInChI=1S/C28H60P.HI/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
InChIKeyWBQOFSCOFOZVRX-UHFFFAOYSA-M
MW554.67 g/mol
LogP7.89
Rot. Bonds24

About dibutyl(didecyl)phosphanium iodide

dibutyl(didecyl)phosphanium iodide (PubChem CID 87776919) has the molecular formula C28H60IP and a molecular weight of 554.67 g/mol. Its IUPAC name is dibutyl(didecyl)phosphanium iodide.

Molecular Properties

Compound Namedibutyl(didecyl)phosphanium iodide
PubChem CID87776919
Molecular FormulaC28H60IP
Molecular Weight554.67 g/mol
Exact Mass554.35
IUPAC Namedibutyl(didecyl)phosphanium iodide
SMILESCCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[I-]
InChIInChI=1S/C28H60P.HI/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
InChIKeyWBQOFSCOFOZVRX-UHFFFAOYSA-M
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hexadecyl(trihexyl)phosphanium iodide
CID 87778701
tributyl(tridecyl)phosphanium
CID 87194469
tetraoctadecylphosphanium iodide
CID 21470282
triheptyl(pentyl)phosphanium iodide
CID 87777949
trioctyl(undecyl)phosphanium iodide
CID 87776861
dihexyl-di(tetradecyl)phosphanium iodide
CID 87778643
tributyl(icosyl)phosphanium
CID 23086982
dihexyl(dioctadecyl)phosphanium iodide
CID 87778941
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922

Frequently Asked Questions

What is the IUPAC name of dibutyl(didecyl)phosphanium iodide?
The IUPAC name of dibutyl(didecyl)phosphanium iodide (CID 87776919) is dibutyl(didecyl)phosphanium iodide.
What is the SMILES notation for dibutyl(didecyl)phosphanium iodide?
The canonical SMILES for dibutyl(didecyl)phosphanium iodide is CCCCCCCCCC[P+](CCCC)(CCCC)CCCCCCCCCC.[I-].
What is the InChIKey of dibutyl(didecyl)phosphanium iodide?
The InChIKey is WBQOFSCOFOZVRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H60P.HI/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 iodide?
dibutyl(didecyl)phosphanium iodide has a molecular weight of 554.67 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 iodide is sourced from PubChem (CID 87776919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).