hexahydrofuro[2,3-b]furan-2-one

• ChemBase ID: 284405
• Molecular Formular: C6H8O3
• Molecular Mass: 128.12592
• Monoisotopic Mass: 128.04734412
• SMILES: O1C2C(CC1=O)CCO2
• Canonical SMILES: O=C1CC2C(O1)OCC2
• InChI: InChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2
• InChIKey: IADWRRHAUNBWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydrofuro[2,3-b]furan-2-one
• IUPAC Traditional name: tetrahydro-3H-furo[2,3-b]furan-2-one
• Synonyms: hexahydrofuro[2,3-b]furan-2-one

Database IDs

• MDL Number: MFCD20502142
• PubChem SID: 180669936
• PubChem CID: 10964515

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.20554307
• LogD (pH = 7.4): 0.20554307
• Log P: 0.20554307
• Molar Refractivity: 28.8844 cm^3
• Polarizability: 11.871202 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.874

Product Information

• Purity: 95%