tributyl(hexyl)phosphanium iodide

C18H40IP — CID 86107567

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

About tributyl(hexyl)phosphanium iodide

tributyl(hexyl)phosphanium iodide (PubChem CID 86107567) has the molecular formula C18H40IP and a molecular weight of 414.40 g/mol. Its IUPAC name is tributyl(hexyl)phosphanium iodide.

Molecular Properties

Compound Nametributyl(hexyl)phosphanium iodide
PubChem CID86107567
Molecular FormulaC18H40IP
Molecular Weight414.40 g/mol
Exact Mass414.19
IUPAC Nametributyl(hexyl)phosphanium iodide
SMILESCCCCCC[P+](CCCC)(CCCC)CCCC.[I-]
InChIInChI=1S/C18H40P.HI/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyIKVOPJRCTAGLSY-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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Frequently Asked Questions

What is the IUPAC name of tributyl(hexyl)phosphanium iodide?
The IUPAC name of tributyl(hexyl)phosphanium iodide (CID 86107567) is tributyl(hexyl)phosphanium iodide.
What is the SMILES notation for tributyl(hexyl)phosphanium iodide?
The canonical SMILES for tributyl(hexyl)phosphanium iodide is CCCCCC[P+](CCCC)(CCCC)CCCC.[I-].
What is the InChIKey of tributyl(hexyl)phosphanium iodide?
The InChIKey is IKVOPJRCTAGLSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40P.HI/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(hexyl)phosphanium iodide?
tributyl(hexyl)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 tributyl(hexyl)phosphanium iodide is sourced from PubChem (CID 86107567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).