ethyl (2E)-3-cyclobutylprop-2-enoate

• ChemBase ID: 310131
• Molecular Formular: C9H14O2
• Molecular Mass: 154.20626
• Monoisotopic Mass: 154.09937969
• SMILES: C(=C\C1CCC1)/C(=O)OCC
• Canonical SMILES: CCOC(=O)/C=C/C1CCC1
• InChI: InChI=1S/C9H14O2/c1-2-11-9(10)7-6-8-4-3-5-8/h6-8H,2-5H2,1H3/b7-6+
• InChIKey: MTSXEFJYMRCFOZ-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2E)-3-cyclobutylprop-2-enoate
• IUPAC Traditional name: ethyl (2E)-3-cyclobutylprop-2-enoate
• Synonyms: ethyl (2E)-3-cyclobutylacrylate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3680482
• LogD (pH = 7.4): 2.3680482
• Log P: 2.3680482
• Molar Refractivity: 44.431 cm^3
• Polarizability: 17.100119 Å^3
• Polar Surface Area: 26.3 Å^2