tert-butyl(diiodo)phosphane

C4H9I2P — CID 12543028

IUPACtert-butyl(diiodo)phosphane
SMILESCC(C)(C)P(I)I
InChIInChI=1S/C4H9I2P/c1-4(2,3)7(5)6/h1-3H3
InChIKeyIOCPGAIZCXSWEI-UHFFFAOYSA-N
MW341.90 g/mol
LogP3.97
Rot. Bonds

About tert-butyl(diiodo)phosphane

tert-butyl(diiodo)phosphane (PubChem CID 12543028) has the molecular formula C4H9I2P and a molecular weight of 341.90 g/mol. Its IUPAC name is tert-butyl(diiodo)phosphane.

Molecular Properties

Compound Nametert-butyl(diiodo)phosphane
PubChem CID12543028
Molecular FormulaC4H9I2P
Molecular Weight341.90 g/mol
Exact Mass341.85
IUPAC Nametert-butyl(diiodo)phosphane
SMILESCC(C)(C)P(I)I
InChIInChI=1S/C4H9I2P/c1-4(2,3)7(5)6/h1-3H3
InChIKeyIOCPGAIZCXSWEI-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.90
LogP ≤ 53.97
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-butyl(diiodo)phosphane?
The IUPAC name of tert-butyl(diiodo)phosphane (CID 12543028) is tert-butyl(diiodo)phosphane.
What is the SMILES notation for tert-butyl(diiodo)phosphane?
The canonical SMILES for tert-butyl(diiodo)phosphane is CC(C)(C)P(I)I.
What is the InChIKey of tert-butyl(diiodo)phosphane?
The InChIKey is IOCPGAIZCXSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I2P/c1-4(2,3)7(5)6/h1-3H3.
What are the key properties of tert-butyl(diiodo)phosphane?
tert-butyl(diiodo)phosphane has a molecular weight of 341.90 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(diiodo)phosphane is sourced from PubChem (CID 12543028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).