1,3-dimethyl 2-(furan-2-ylmethylidene)propanedioate

• ChemBase ID: 247441
• Molecular Formular: C10H10O5
• Molecular Mass: 210.1834
• Monoisotopic Mass: 210.05282342
• SMILES: C(=Cc1occc1)(C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)C(=Cc1ccco1)C(=O)OC
• InChI: InChI=1S/C10H10O5/c1-13-9(11)8(10(12)14-2)6-7-4-3-5-15-7/h3-6H,1-2H3
• InChIKey: RFTYRVYMGFNPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl 2-(furan-2-ylmethylidene)propanedioate
• IUPAC Traditional name: 1,3-dimethyl 2-(furan-2-ylmethylidene)propanedioate
• Synonyms: 1,3-dimethyl 2-(furan-2-ylmethylidene)propanedioate

Database IDs

• PubChem SID: 164303351
• PubChem CID: 10998289

CALCULATED PROPERTIES

• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5420308
• LogD (pH = 7.4): 1.5420308
• Log P: 1.5420308
• Molar Refractivity: 51.0633 cm^3
• Polarizability: 19.709162 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.334

Product Information

• Purity: 95%