methyl 2-cyclobutoxyacetate

• ChemBase ID: 240476
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(COC1CCC1)OC
• Canonical SMILES: COC(=O)COC1CCC1
• InChI: InChI=1S/C7H12O3/c1-9-7(8)5-10-6-3-2-4-6/h6H,2-5H2,1H3
• InChIKey: YBPVIGMMACIOOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-cyclobutoxyacetate
• IUPAC Traditional name: methyl 2-cyclobutoxyacetate
• Synonyms: methyl 2-cyclobutoxyacetate

Database IDs

• MDL Number: MFCD16684215
• PubChem SID: 164296386
• PubChem CID: 62115780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.65856
• LogD (pH = 7.4): 0.65856
• Log P: 0.65856
• Molar Refractivity: 35.6784 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.73

Product Information

• Purity: 95%