6-[(chlorocarbonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl chloroformate

• ChemBase ID: 42994
• Molecular Formular: C8H8Cl2O6
• Molecular Mass: 271.05152
• Monoisotopic Mass: 269.96979334
• SMILES: C12C(OCC2OC(=O)Cl)C(OC(=O)Cl)CO1
• Canonical SMILES: ClC(=O)OC1COC2C1OCC2OC(=O)Cl
• InChI: InChI=1S/C8H8Cl2O6/c9-7(11)15-3-1-13-6-4(16-8(10)12)2-14-5(3)6/h3-6H,1-2H2
• InChIKey: WXQRCZYCGISTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(chlorocarbonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl chloroformate
• IUPAC Traditional name: 6-[(chlorocarbonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl chloroformate
• Synonyms: 3,6-Bis[(chlorocarbonyl)oxy]hexahydrofuro-[3,2-b]furan

Database IDs

• MDL Number: MFCD08689671
• PubChem SID: 162047757
• PubChem CID: 12894109

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4890926
• LogD (pH = 7.4): 1.4890926
• Log P: 1.4890926
• Molar Refractivity: 51.1124 cm^3
• Polarizability: 21.196447 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%