2-(naphthalen-1-yl)ethyl 2-methylprop-2-enoate

• ChemBase ID: 174979
• Molecular Formular: C16H16O2
• Molecular Mass: 240.29704
• Monoisotopic Mass: 240.11502975
• SMILES: c1ccc2c(c1)c(ccc2)CCOC(=O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)OCCc1cccc2c1cccc2
• InChI: InChI=1S/C16H16O2/c1-12(2)16(17)18-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,1,10-11H2,2H3
• InChIKey: ZOGKWQDNFUFFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(naphthalen-1-yl)ethyl 2-methylprop-2-enoate
• Synonyms: (1-Naphthyl)ethyl Methacrylate

Database IDs

• CAS Number: 72642-30-9
• PubChem SID: 164230889
• PubChem CID: 3316929

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.310336
• LogD (pH = 7.4): 4.310336
• Log P: 4.310336
• Molar Refractivity: 72.2354 cm^3
• Polarizability: 29.477858 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - N372500

Fluorescent probe suitable for the study ofinterdiffusion of polymer latex.

REFERENCES

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