1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate

• ChemBase ID: 109818
• Molecular Formular: C14H14O8
• Molecular Mass: 310.25616
• Monoisotopic Mass: 310.06886741
• SMILES: COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC
• InChI: InChI=1S/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3
• InChIKey: QVEIFJBUBJUUMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate
• IUPAC Traditional name: 1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate
• Synonyms: Tetramethyl Pyromellitate; 1,2,4,5-BENZENETETRACARBOXYLIC ACID, TETRAMETHYLESTER

Database IDs

• CAS Number: 635-10-9
• PubChem SID: 162096310
• PubChem CID: 69455

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9871536
• LogD (pH = 7.4): 1.9871536
• Log P: 1.9871536
• Molar Refractivity: 74.1592 cm^3
• Polarizability: 28.233278 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212705

MP Biomedicals Rare Chemical collection