tert-butylphosphanium iodide

C4H12IP — CID 19959752

IUPACtert-butylphosphanium iodide
SMILESCC(C)(C)[PH3+].[I-]
InChIInChI=1S/C4H11P.HI/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyMSFHEPUTAUUXHE-UHFFFAOYSA-N
MW218.02 g/mol
LogP-1.60
Rot. Bonds

About tert-butylphosphanium iodide

tert-butylphosphanium iodide (PubChem CID 19959752) has the molecular formula C4H12IP and a molecular weight of 218.02 g/mol. Its IUPAC name is tert-butylphosphanium iodide.

Molecular Properties

Compound Nametert-butylphosphanium iodide
PubChem CID19959752
Molecular FormulaC4H12IP
Molecular Weight218.02 g/mol
Exact Mass217.97
IUPAC Nametert-butylphosphanium iodide
SMILESCC(C)(C)[PH3+].[I-]
InChIInChI=1S/C4H11P.HI/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyMSFHEPUTAUUXHE-UHFFFAOYSA-N
XLogP-1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 5-1.60
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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Frequently Asked Questions

What is the IUPAC name of tert-butylphosphanium iodide?
The IUPAC name of tert-butylphosphanium iodide (CID 19959752) is tert-butylphosphanium iodide.
What is the SMILES notation for tert-butylphosphanium iodide?
The canonical SMILES for tert-butylphosphanium iodide is CC(C)(C)[PH3+].[I-].
What is the InChIKey of tert-butylphosphanium iodide?
The InChIKey is MSFHEPUTAUUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.HI/c1-4(2,3)5;/h5H2,1-3H3;1H.
What are the key properties of tert-butylphosphanium iodide?
tert-butylphosphanium iodide has a molecular weight of 218.02 g/mol, XLogP of -1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphanium iodide is sourced from PubChem (CID 19959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).