methyl 2-methyloxolane-3-carboxylate

• ChemBase ID: 235374
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C1(C(=O)OC)C(OCC1)C
• Canonical SMILES: COC(=O)C1CCOC1C
• InChI: InChI=1S/C7H12O3/c1-5-6(3-4-10-5)7(8)9-2/h5-6H,3-4H2,1-2H3
• InChIKey: JOQJAUHKZQYHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methyloxolane-3-carboxylate
• IUPAC Traditional name: methyl 2-methyloxolane-3-carboxylate
• Synonyms: methyl 2-methyloxolane-3-carboxylate

Database IDs

• MDL Number: MFCD19982018
• PubChem SID: 164291284
• PubChem CID: 15205189

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.47146794
• LogD (pH = 7.4): 0.47146794
• Log P: 0.47146794
• Molar Refractivity: 35.8273 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.64

Product Information

• Purity: 95%