(2-methylpropan-2-yl)oxy hypoiodite

C4H9IO2 — CID 18681414

IUPAC(2-methylpropan-2-yl)oxy hypoiodite
SMILESCC(C)(C)OOI
InChIInChI=1S/C4H9IO2/c1-4(2,3)6-7-5/h1-3H3
InChIKeyORHFYKBAXLCHOO-UHFFFAOYSA-N
MW216.02 g/mol
LogP2.08
Rot. Bonds1

About (2-methylpropan-2-yl)oxy hypoiodite

(2-methylpropan-2-yl)oxy hypoiodite (PubChem CID 18681414) has the molecular formula C4H9IO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy hypoiodite.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy hypoiodite
PubChem CID18681414
Molecular FormulaC4H9IO2
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Name(2-methylpropan-2-yl)oxy hypoiodite
SMILESCC(C)(C)OOI
InChIInChI=1S/C4H9IO2/c1-4(2,3)6-7-5/h1-3H3
InChIKeyORHFYKBAXLCHOO-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2-methylpropan-2-yl)oxy hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy hypoiodite?
The IUPAC name of (2-methylpropan-2-yl)oxy hypoiodite (CID 18681414) is (2-methylpropan-2-yl)oxy hypoiodite.
What is the SMILES notation for (2-methylpropan-2-yl)oxy hypoiodite?
The canonical SMILES for (2-methylpropan-2-yl)oxy hypoiodite is CC(C)(C)OOI.
What is the InChIKey of (2-methylpropan-2-yl)oxy hypoiodite?
The InChIKey is ORHFYKBAXLCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO2/c1-4(2,3)6-7-5/h1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxy hypoiodite?
(2-methylpropan-2-yl)oxy hypoiodite has a molecular weight of 216.02 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy hypoiodite is sourced from PubChem (CID 18681414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).