2,5-bis(iodomethyl)-1,4-dioxane

• ChemBase ID: 162326
• Molecular Formular: C6H10I2O2
• Molecular Mass: 367.95134
• Monoisotopic Mass: 367.87702556
• SMILES: C1(OCC(OC1)CI)CI
• Canonical SMILES: ICC1OCC(OC1)CI
• InChI: InChI=1S/C6H10I2O2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2
• InChIKey: UJGCDSJISZRBPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(iodomethyl)-1,4-dioxane
• IUPAC Traditional name: 2,5-bis(iodomethyl)-1,4-dioxane
• Synonyms: 2,5-Bis(iodomethyl)-p-dioxane; Bis(2,5-iodomethyl)dioxane(Mixture of Diastereomers)

Database IDs

• CAS Number: 101084-46-2
• PubChem SID: 162256461
• PubChem CID: 271105

CALCULATED PROPERTIES

• Polarizability: 23.073034 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.274294
• LogD (pH = 7.4): 2.274294
• Log P: 2.274294
• Molar Refractivity: 56.8864 cm^3

PROPERTIES

Physical Property

• Solubility: Benzene; Dichloromethane; Ethyl Acetate
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - B448750

A derivative of dioxane.