5-(oxan-2-yl)furan-2-carbaldehyde

• ChemBase ID: 307283
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: c1(oc(cc1)C=O)C1OCCCC1
• Canonical SMILES: O=Cc1ccc(o1)C1CCCCO1
• InChI: InChI=1S/C10H12O3/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9/h4-5,7,9H,1-3,6H2
• InChIKey: JNMHKOWKQBQTIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(oxan-2-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(oxan-2-yl)furan-2-carbaldehyde
• Synonyms: 5-(tetrahydro-2H-pyran-2-yl)-2-furaldehyde

Database IDs

• CAS Number: 915924-73-1
• MDL Number: MFCD08059921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4519058
• LogD (pH = 7.4): 1.4519058
• Log P: 1.4519058
• Molar Refractivity: 48.2897 cm^3
• Polarizability: 18.288527 Å^3
• Polar Surface Area: 39.44 Å^2