methyl 5-(methoxymethyl)furan-2-carboxylate

• ChemBase ID: 120066
• Molecular Formular: C8H10O4
• Molecular Mass: 170.1626
• Monoisotopic Mass: 170.0579088
• SMILES: c1(oc(cc1)COC)C(=O)OC
• Canonical SMILES: COCc1ccc(o1)C(=O)OC
• InChI: InChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3
• InChIKey: GXYHQVZORYVUOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-(methoxymethyl)furan-2-carboxylate
• IUPAC Traditional name: methyl 5-(methoxymethyl)furan-2-carboxylate
• Synonyms: methyl 5-(methoxymethyl)furan-2-carboxylate

Database IDs

• MDL Number: MFCD06803183
• PubChem SID: 162214419
• PubChem CID: 4193918

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8327473
• LogD (pH = 7.4): 0.8327473
• Log P: 0.8327473
• Molar Refractivity: 41.9188 cm^3
• Polarizability: 16.079905 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.085

Product Information

• Purity: 95%
• Classification: Derivatives & analogs of Natural Compounds