triheptyl(pentyl)phosphanium iodide

C26H56IP — CID 87777949

IUPACtriheptyl(pentyl)phosphanium iodide
SMILESCCCCCCC[P+](CCCCC)(CCCCCCC)CCCCCCC.[I-]
InChIInChI=1S/C26H56P.HI/c1-5-9-13-16-20-24-27(23-19-12-8-4,25-21-17-14-10-6-2)26-22-18-15-11-7-3;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyQDIATIZNMWWDRU-UHFFFAOYSA-M
MW526.61 g/mol
LogP7.11
Rot. Bonds22

About triheptyl(pentyl)phosphanium iodide

triheptyl(pentyl)phosphanium iodide (PubChem CID 87777949) has the molecular formula C26H56IP and a molecular weight of 526.61 g/mol. Its IUPAC name is triheptyl(pentyl)phosphanium iodide.

Molecular Properties

Compound Nametriheptyl(pentyl)phosphanium iodide
PubChem CID87777949
Molecular FormulaC26H56IP
Molecular Weight526.61 g/mol
Exact Mass526.32
IUPAC Nametriheptyl(pentyl)phosphanium iodide
SMILESCCCCCCC[P+](CCCCC)(CCCCCCC)CCCCCCC.[I-]
InChIInChI=1S/C26H56P.HI/c1-5-9-13-16-20-24-27(23-19-12-8-4,25-21-17-14-10-6-2)26-22-18-15-11-7-3;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyQDIATIZNMWWDRU-UHFFFAOYSA-M
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 57.11
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
trioctyl(undecyl)phosphanium iodide
CID 87776861
dihexyl-di(tetradecyl)phosphanium iodide
CID 87778643
dihexyl(dioctadecyl)phosphanium iodide
CID 87778941
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tri(nonadecyl)-undecylphosphanium
CID 87808807
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 triheptyl(pentyl)phosphanium iodide?
The IUPAC name of triheptyl(pentyl)phosphanium iodide (CID 87777949) is triheptyl(pentyl)phosphanium iodide.
What is the SMILES notation for triheptyl(pentyl)phosphanium iodide?
The canonical SMILES for triheptyl(pentyl)phosphanium iodide is CCCCCCC[P+](CCCCC)(CCCCCCC)CCCCCCC.[I-].
What is the InChIKey of triheptyl(pentyl)phosphanium iodide?
The InChIKey is QDIATIZNMWWDRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56P.HI/c1-5-9-13-16-20-24-27(23-19-12-8-4,25-21-17-14-10-6-2)26-22-18-15-11-7-3;/h5-26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triheptyl(pentyl)phosphanium iodide?
triheptyl(pentyl)phosphanium iodide has a molecular weight of 526.61 g/mol, XLogP of 7.11, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl(pentyl)phosphanium iodide is sourced from PubChem (CID 87777949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).