2-[(5-nitrofuran-2-yl)methoxy]oxane

• ChemBase ID: 83291
• Molecular Formular: C10H13NO5
• Molecular Mass: 227.21392
• Monoisotopic Mass: 227.07937252
• SMILES: [N+](=O)(c1ccc(o1)COC1OCCCC1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(o1)COC1CCCCO1
• InChI: InChI=1S/C10H13NO5/c12-11(13)9-5-4-8(16-9)7-15-10-3-1-2-6-14-10/h4-5,10H,1-3,6-7H2
• InChIKey: OHDHWVXJNNVQLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-nitrofuran-2-yl)methoxy]oxane
• IUPAC Traditional name: 2-[(5-nitrofuran-2-yl)methoxy]oxane
• Synonyms: 2-[(5-nitro-2-furyl)methoxy]tetrahydro-2H-pyran

Database IDs

• MDL Number: MFCD00098950
• PubChem SID: 162070410
• PubChem CID: 2780014

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8391116
• LogD (pH = 7.4): 1.8391116
• Log P: 1.8391116
• Molar Refractivity: 54.6275 cm^3
• Polarizability: 20.923626 Å^3
• Polar Surface Area: 77.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true