dihexyl(dioctadecyl)phosphanium iodide

C48H100IP — CID 87778941

IUPACdihexyl(dioctadecyl)phosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C48H100P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-39-43-47-49(45-41-15-11-7-3,46-42-16-12-8-4)48-44-40-38-36-34-32-30-28-26-24-22-20-18-14-10-6-2;/h5-48H2,1-4H3;1H/q+1;/p-1
InChIKeyMOEDAUXEKAPQPN-UHFFFAOYSA-M
MW835.21 g/mol
LogP15.69
Rot. Bonds44

About dihexyl(dioctadecyl)phosphanium iodide

dihexyl(dioctadecyl)phosphanium iodide (PubChem CID 87778941) has the molecular formula C48H100IP and a molecular weight of 835.21 g/mol. Its IUPAC name is dihexyl(dioctadecyl)phosphanium iodide.

Molecular Properties

Compound Namedihexyl(dioctadecyl)phosphanium iodide
PubChem CID87778941
Molecular FormulaC48H100IP
Molecular Weight835.21 g/mol
Exact Mass834.66
IUPAC Namedihexyl(dioctadecyl)phosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C48H100P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-39-43-47-49(45-41-15-11-7-3,46-42-16-12-8-4)48-44-40-38-36-34-32-30-28-26-24-22-20-18-14-10-6-2;/h5-48H2,1-4H3;1H/q+1;/p-1
InChIKeyMOEDAUXEKAPQPN-UHFFFAOYSA-M
XLogP15.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.21
LogP ≤ 515.69
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
tetraoctadecylphosphanium iodide
CID 21470282
triheptyl(pentyl)phosphanium iodide
CID 87777949
trioctyl(undecyl)phosphanium iodide
CID 87776861
dihexyl-di(tetradecyl)phosphanium iodide
CID 87778643
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687

Frequently Asked Questions

What is the IUPAC name of dihexyl(dioctadecyl)phosphanium iodide?
The IUPAC name of dihexyl(dioctadecyl)phosphanium iodide (CID 87778941) is dihexyl(dioctadecyl)phosphanium iodide.
What is the SMILES notation for dihexyl(dioctadecyl)phosphanium iodide?
The canonical SMILES for dihexyl(dioctadecyl)phosphanium iodide is CCCCCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCCCCCC.[I-].
What is the InChIKey of dihexyl(dioctadecyl)phosphanium iodide?
The InChIKey is MOEDAUXEKAPQPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C48H100P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-39-43-47-49(45-41-15-11-7-3,46-42-16-12-8-4)48-44-40-38-36-34-32-30-28-26-24-22-20-18-14-10-6-2;/h5-48H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dihexyl(dioctadecyl)phosphanium iodide?
dihexyl(dioctadecyl)phosphanium iodide has a molecular weight of 835.21 g/mol, XLogP of 15.69, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(dioctadecyl)phosphanium iodide is sourced from PubChem (CID 87778941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).