1,2,3,4-tetramethyl cyclobutane-1,2,3,4-tetracarboxylate

• ChemBase ID: 137604
• Molecular Formular: C12H16O8
• Molecular Mass: 288.25064
• Monoisotopic Mass: 288.08451747
• SMILES: COC(=O)C1C(C(C1C(=O)OC)C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)C1C(C(=O)OC)C(C1C(=O)OC)C(=O)OC
• InChI: InChI=1S/C12H16O8/c1-17-9(13)5-6(10(14)18-2)8(12(16)20-4)7(5)11(15)19-3/h5-8H,1-4H3
• InChIKey: NXMOMNBIDWYNOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetramethyl cyclobutane-1,2,3,4-tetracarboxylate
• IUPAC Traditional name: 1,2,3,4-tetramethyl cyclobutane-1,2,3,4-tetracarboxylate
• Synonyms: Tetramethyl 1,2,3,4-cyclobutanetetracarboxylate; 四甲基1,2,3,4-环丁烷四羧酸酯

Database IDs

• CAS Number: 14495-41-1
• MDL Number: MFCD00013269
• PubChem SID: 162231866
• PubChem CID: 266035

CALCULATED PROPERTIES

• Acid pKa: 14.545948
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.047171064
• LogD (pH = 7.4): -0.047171094
• Log P: -0.74717104
• Molar Refractivity: 62.44 cm^3
• Polarizability: 25.47254 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H16O8