octadecylphosphanium iodide

C18H40IP — CID 21470281

IUPACoctadecylphosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[PH3+].[I-]
InChIInChI=1S/C18H39P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H
InChIKeyDABKWSUDFKBOBE-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.86
Rot. Bonds16

About octadecylphosphanium iodide

octadecylphosphanium iodide (PubChem CID 21470281) has the molecular formula C18H40IP and a molecular weight of 414.40 g/mol. Its IUPAC name is octadecylphosphanium iodide.

Molecular Properties

Compound Nameoctadecylphosphanium iodide
PubChem CID21470281
Molecular FormulaC18H40IP
Molecular Weight414.40 g/mol
Exact Mass414.19
IUPAC Nameoctadecylphosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[PH3+].[I-]
InChIInChI=1S/C18H39P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H
InChIKeyDABKWSUDFKBOBE-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.86
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 octadecylphosphanium iodide?
The IUPAC name of octadecylphosphanium iodide (CID 21470281) is octadecylphosphanium iodide.
What is the SMILES notation for octadecylphosphanium iodide?
The canonical SMILES for octadecylphosphanium iodide is CCCCCCCCCCCCCCCCCC[PH3+].[I-].
What is the InChIKey of octadecylphosphanium iodide?
The InChIKey is DABKWSUDFKBOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H.
What are the key properties of octadecylphosphanium iodide?
octadecylphosphanium iodide has a molecular weight of 414.40 g/mol, XLogP of 3.86, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecylphosphanium iodide is sourced from PubChem (CID 21470281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).