ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide

C20H24I2P2 — CID 174900337

IUPACethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.P.[I-]
InChIInChI=1S/C20H20P.2HI.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyIMTWACWHFFKLKP-UHFFFAOYSA-M
MW580.17 g/mol
LogP1.68
Rot. Bonds4

About ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide

ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide (PubChem CID 174900337) has the molecular formula C20H24I2P2 and a molecular weight of 580.17 g/mol. Its IUPAC name is ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide.

Molecular Properties

Compound Nameethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
PubChem CID174900337
Molecular FormulaC20H24I2P2
Molecular Weight580.17 g/mol
Exact Mass579.94
IUPAC Nameethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.P.[I-]
InChIInChI=1S/C20H20P.2HI.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyIMTWACWHFFKLKP-UHFFFAOYSA-M
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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bromoethane;ethyl(triphenyl)phosphanium;bromide
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ethyl(triphenyl)phosphanium;trifluorocopper(1-)
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Frequently Asked Questions

What is the IUPAC name of ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide?
The IUPAC name of ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide (CID 174900337) is ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide.
What is the SMILES notation for ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide?
The canonical SMILES for ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.P.[I-].
What is the InChIKey of ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide?
The InChIKey is IMTWACWHFFKLKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20P.2HI.H3P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide?
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide has a molecular weight of 580.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide is sourced from PubChem (CID 174900337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).