benzyl 2-cyclobutoxyacetate

• ChemBase ID: 65925
• Molecular Formular: C13H16O3
• Molecular Mass: 220.26434
• Monoisotopic Mass: 220.10994437
• SMILES: O(CC(=O)OCc1ccccc1)C1CCC1
• Canonical SMILES: O=C(OCc1ccccc1)COC1CCC1
• InChI: InChI=1S/C13H16O3/c14-13(10-15-12-7-4-8-12)16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
• InChIKey: KUYWMBMETZVYBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-cyclobutoxyacetate
• IUPAC Traditional name: benzyl 2-cyclobutoxyacetate
• Synonyms: Benzyl 2-cyclobutoxyacetate

Database IDs

• MDL Number: MFCD21648270
• PubChem SID: 162031664
• PubChem CID: 71299205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.383033
• LogD (pH = 7.4): 2.383033
• Log P: 2.383033
• Molar Refractivity: 60.291 cm^3
• Polarizability: 23.942303 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%