5-(ethoxymethyl)furan-2-carbaldehyde

• ChemBase ID: 249164
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: o1c(ccc1COCC)C=O
• Canonical SMILES: CCOCc1ccc(o1)C=O
• InChI: InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3
• InChIKey: CCDRPZFMDMKZSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(ethoxymethyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(ethoxymethyl)furan-2-carbaldehyde
• Synonyms: 5-(ethoxymethyl)furan-2-carbaldehyde

Database IDs

• MDL Number: MFCD06803262
• PubChem SID: 164305074
• PubChem CID: 12648080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8985806
• LogD (pH = 7.4): 0.8985806
• Log P: 0.8985806
• Molar Refractivity: 41.2261 cm^3
• Polarizability: 15.34247 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.858

Product Information

• Purity: 95%