ethyl 5-oxooxolane-3-carboxylate

• ChemBase ID: 238320
• Molecular Formular: C7H10O4
• Molecular Mass: 158.1519
• Monoisotopic Mass: 158.0579088
• SMILES: C1(C(=O)OCC)CC(=O)OC1
• Canonical SMILES: CCOC(=O)C1COC(=O)C1
• InChI: InChI=1S/C7H10O4/c1-2-10-7(9)5-3-6(8)11-4-5/h5H,2-4H2,1H3
• InChIKey: FESAUDRCHNHLNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-oxooxolane-3-carboxylate
• IUPAC Traditional name: ethyl 5-oxooxolane-3-carboxylate
• Synonyms: ethyl 5-oxooxolane-3-carboxylate

Database IDs

• MDL Number: MFCD07783246
• PubChem SID: 164294230
• PubChem CID: 21586084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.03090529
• LogD (pH = 7.4): 0.03090529
• Log P: 0.03090529
• Molar Refractivity: 35.9117 cm^3
• Polarizability: 14.54669 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.351

Product Information

• Purity: 95%