dihexyl-di(tetradecyl)phosphanium iodide

C40H84IP — CID 87778643

IUPACdihexyl-di(tetradecyl)phosphanium iodide
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C40H84P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-35-39-41(37-33-15-11-7-3,38-34-16-12-8-4)40-36-32-30-28-26-24-22-20-18-14-10-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1
InChIKeyAPGDEBBIVQOJEX-UHFFFAOYSA-M
MW722.99 g/mol
LogP12.57
Rot. Bonds36

About dihexyl-di(tetradecyl)phosphanium iodide

dihexyl-di(tetradecyl)phosphanium iodide (PubChem CID 87778643) has the molecular formula C40H84IP and a molecular weight of 722.99 g/mol. Its IUPAC name is dihexyl-di(tetradecyl)phosphanium iodide.

Molecular Properties

Compound Namedihexyl-di(tetradecyl)phosphanium iodide
PubChem CID87778643
Molecular FormulaC40H84IP
Molecular Weight722.99 g/mol
Exact Mass722.54
IUPAC Namedihexyl-di(tetradecyl)phosphanium iodide
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C40H84P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-35-39-41(37-33-15-11-7-3,38-34-16-12-8-4)40-36-32-30-28-26-24-22-20-18-14-10-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1
InChIKeyAPGDEBBIVQOJEX-UHFFFAOYSA-M
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.99
LogP ≤ 512.57
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(dioctadecyl)phosphanium iodide
CID 87778941
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-di(tetradecyl)phosphanium iodide?
The IUPAC name of dihexyl-di(tetradecyl)phosphanium iodide (CID 87778643) is dihexyl-di(tetradecyl)phosphanium iodide.
What is the SMILES notation for dihexyl-di(tetradecyl)phosphanium iodide?
The canonical SMILES for dihexyl-di(tetradecyl)phosphanium iodide is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC.[I-].
What is the InChIKey of dihexyl-di(tetradecyl)phosphanium iodide?
The InChIKey is APGDEBBIVQOJEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H84P.HI/c1-5-9-13-17-19-21-23-25-27-29-31-35-39-41(37-33-15-11-7-3,38-34-16-12-8-4)40-36-32-30-28-26-24-22-20-18-14-10-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dihexyl-di(tetradecyl)phosphanium iodide?
dihexyl-di(tetradecyl)phosphanium iodide has a molecular weight of 722.99 g/mol, XLogP of 12.57, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-di(tetradecyl)phosphanium iodide is sourced from PubChem (CID 87778643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).