dibutyl(dipentyl)phosphanium iodide

C18H40IP — CID 87778767

IUPACdibutyl(dipentyl)phosphanium iodide
SMILESCCCCC[P+](CCCC)(CCCC)CCCCC.[I-]
InChIInChI=1S/C18H40P.HI/c1-5-9-13-17-19(15-11-7-3,16-12-8-4)18-14-10-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyQNUFPKUDKPNYPH-UHFFFAOYSA-M
MW414.40 g/mol
LogP3.99
Rot. Bonds14

About dibutyl(dipentyl)phosphanium iodide

dibutyl(dipentyl)phosphanium iodide (PubChem CID 87778767) has the molecular formula C18H40IP and a molecular weight of 414.40 g/mol. Its IUPAC name is dibutyl(dipentyl)phosphanium iodide.

Molecular Properties

Compound Namedibutyl(dipentyl)phosphanium iodide
PubChem CID87778767
Molecular FormulaC18H40IP
Molecular Weight414.40 g/mol
Exact Mass414.19
IUPAC Namedibutyl(dipentyl)phosphanium iodide
SMILESCCCCC[P+](CCCC)(CCCC)CCCCC.[I-]
InChIInChI=1S/C18H40P.HI/c1-5-9-13-17-19(15-11-7-3,16-12-8-4)18-14-10-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyQNUFPKUDKPNYPH-UHFFFAOYSA-M
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.99
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

dibutyl(didecyl)phosphanium iodide
CID 87776919
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
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(dipentyl)phosphanium iodide?
The IUPAC name of dibutyl(dipentyl)phosphanium iodide (CID 87778767) is dibutyl(dipentyl)phosphanium iodide.
What is the SMILES notation for dibutyl(dipentyl)phosphanium iodide?
The canonical SMILES for dibutyl(dipentyl)phosphanium iodide is CCCCC[P+](CCCC)(CCCC)CCCCC.[I-].
What is the InChIKey of dibutyl(dipentyl)phosphanium iodide?
The InChIKey is QNUFPKUDKPNYPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40P.HI/c1-5-9-13-17-19(15-11-7-3,16-12-8-4)18-14-10-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dibutyl(dipentyl)phosphanium iodide?
dibutyl(dipentyl)phosphanium iodide has a molecular weight of 414.40 g/mol, XLogP of 3.99, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(dipentyl)phosphanium iodide is sourced from PubChem (CID 87778767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).