ethyl oxolane-3-carboxylate

• ChemBase ID: 277287
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(C1COCC1)OCC
• Canonical SMILES: CCOC(=O)C1COCC1
• InChI: InChI=1S/C7H12O3/c1-2-10-7(8)6-3-4-9-5-6/h6H,2-5H2,1H3
• InChIKey: XEQXCAOMSYMYRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl oxolane-3-carboxylate
• IUPAC Traditional name: ethyl oxolane-3-carboxylate
• Synonyms: ethyl oxolane-3-carboxylate

Database IDs

• MDL Number: MFCD06204767
• PubChem SID: 164333197
• PubChem CID: 22625134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.41170087
• LogD (pH = 7.4): 0.41170087
• Log P: 0.41170087
• Molar Refractivity: 36.1571 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.65

Product Information

• Purity: 95%