1,3-diiodo-2-(iodomethyl)-2-methylpropane

C5H9I3 — CID 13088373

IUPAC1,3-diiodo-2-(iodomethyl)-2-methylpropane
SMILESCC(CI)(CI)CI
InChIInChI=1S/C5H9I3/c1-5(2-6,3-7)4-8/h2-4H2,1H3
InChIKeyBPZVDFRXOOELDO-UHFFFAOYSA-N
MW449.84 g/mol
LogP3.30
Rot. Bonds3

About 1,3-diiodo-2-(iodomethyl)-2-methylpropane

1,3-diiodo-2-(iodomethyl)-2-methylpropane (PubChem CID 13088373) has the molecular formula C5H9I3 and a molecular weight of 449.84 g/mol. Its IUPAC name is 1,3-diiodo-2-(iodomethyl)-2-methylpropane.

Molecular Properties

Compound Name1,3-diiodo-2-(iodomethyl)-2-methylpropane
PubChem CID13088373
Molecular FormulaC5H9I3
Molecular Weight449.84 g/mol
Exact Mass449.78
IUPAC Name1,3-diiodo-2-(iodomethyl)-2-methylpropane
SMILESCC(CI)(CI)CI
InChIInChI=1S/C5H9I3/c1-5(2-6,3-7)4-8/h2-4H2,1H3
InChIKeyBPZVDFRXOOELDO-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diiodo-2-(iodomethyl)-2-methylpropane?
The IUPAC name of 1,3-diiodo-2-(iodomethyl)-2-methylpropane (CID 13088373) is 1,3-diiodo-2-(iodomethyl)-2-methylpropane.
What is the SMILES notation for 1,3-diiodo-2-(iodomethyl)-2-methylpropane?
The canonical SMILES for 1,3-diiodo-2-(iodomethyl)-2-methylpropane is CC(CI)(CI)CI.
What is the InChIKey of 1,3-diiodo-2-(iodomethyl)-2-methylpropane?
The InChIKey is BPZVDFRXOOELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9I3/c1-5(2-6,3-7)4-8/h2-4H2,1H3.
What are the key properties of 1,3-diiodo-2-(iodomethyl)-2-methylpropane?
1,3-diiodo-2-(iodomethyl)-2-methylpropane has a molecular weight of 449.84 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2-(iodomethyl)-2-methylpropane is sourced from PubChem (CID 13088373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).