naphthalen-1-ylmethyl 2-methylprop-2-enoate

• ChemBase ID: 174981
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: c1ccc2c(c1)c(ccc2)COC(=O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)OCc1cccc2c1cccc2
• InChI: InChI=1S/C15H14O2/c1-11(2)15(16)17-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,1,10H2,2H3
• InChIKey: XUFGRSOFTCSQJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-ylmethyl 2-methylprop-2-enoate
• IUPAC Traditional name: naphthalen-1-ylmethyl 2-methylprop-2-enoate
• Synonyms: 2-Methyl-2-propenoic Acid 1-Naphthalenylmethyl Ester; Methacrylic Acid 1-Naphthylmethyl Ester; 1-Naphthalenemethanol Methacrylate; 1-Naphthylmethyl Methacrylate; (1-Naphthyl)methyl Methacrylate

Database IDs

• CAS Number: 28171-92-8
• PubChem SID: 164230891
• PubChem CID: 3311580

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.021675
• LogD (pH = 7.4): 4.021675
• Log P: 4.021675
• Molar Refractivity: 67.4804 cm^3
• Polarizability: 27.627834 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - N372600

Fluorescent probe suitable for the study of interdiffusion of polymer latex.

REFERENCES

• Zhao, et al.: Macromolecules, 23, 18, 4083 (1990)