methyl oxolane-3-carboxylate

• ChemBase ID: 263696
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: C(=O)(C1COCC1)OC
• Canonical SMILES: COC(=O)C1COCC1
• InChI: InChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3
• InChIKey: HUTNCRJHLZDGPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06203928
• PubChem SID: 164319606
• PubChem CID: 10678263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.05489293
• LogD (pH = 7.4): 0.05489293
• Log P: 0.05489293
• Molar Refractivity: 31.4085 cm^3
• Polarizability: 12.574146 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.121

Product Information

• Purity: 95%