1,4,5,8-tetramethyl naphthalene-1,4,5,8-tetracarboxylate

• ChemBase ID: 798144
• Molecular Formular: C18H16O8
• Molecular Mass: 360.31484
• Monoisotopic Mass: 360.08451747
• SMILES: c1c(c2c(c(c1)C(=O)OC)c(ccc2C(=O)OC)C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc(c2c1c(ccc2C(=O)OC)C(=O)OC)C(=O)OC
• InChI: InChI=1S/C18H16O8/c1-23-15(19)9-5-6-11(17(21)25-3)14-12(18(22)26-4)8-7-10(13(9)14)16(20)24-2/h5-8H,1-4H3
• InChIKey: QGAXWPQVFUUSGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,5,8-tetramethyl naphthalene-1,4,5,8-tetracarboxylate
• IUPAC Traditional name: 1,4,5,8-tetramethyl naphthalene-1,4,5,8-tetracarboxylate
• Synonyms: tetramethyl 1,4,5,8-Naphthalenetetracarboxylate

Database IDs

• CAS Number: 31996-10-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9766304
• LogD (pH = 7.4): 2.9766304
• Log P: 2.9766304
• Molar Refractivity: 90.6094 cm^3
• Polarizability: 35.602383 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%