methyl oxolane-2-carboxylate

• ChemBase ID: 288454
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: O=C(C1OCCC1)OC
• Canonical SMILES: COC(=O)C1CCCO1
• InChI: InChI=1S/C6H10O3/c1-8-6(7)5-3-2-4-9-5/h5H,2-4H2,1H3
• InChIKey: IXHZGHPQQTXOKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl oxolane-2-carboxylate
• IUPAC Traditional name: methyl oxolane-2-carboxylate
• Synonyms: Methyl tetrahydrofuran-2-carboxylate

Database IDs

• CAS Number: 37443-42-8
• MDL Number: MFCD00154541
• PubChem SID: 180673985
• PubChem CID: 169922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.36618054
• LogD (pH = 7.4): 0.36618054
• Log P: 0.36618054
• Molar Refractivity: 31.1525 cm^3
• Polarizability: 12.574146 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%