1,1,2,2-tetraethyl eth-1-ene-1,1,2,2-tetracarboxylate

• ChemBase ID: 108054
• Molecular Formular: C14H20O8
• Molecular Mass: 316.3038
• Monoisotopic Mass: 316.1158176
• SMILES: CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C(=O)OCC
• InChI: InChI=1S/C14H20O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h5-8H2,1-4H3
• InChIKey: IYHFWCBVJOQIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetraethyl eth-1-ene-1,1,2,2-tetracarboxylate
• IUPAC Traditional name: 1,1,2,2-tetraethyl eth-1-ene-1,1,2,2-tetracarboxylate
• Synonyms: sym-ETHYL ETHYLENETETRA CARBOXYLATE

Database IDs

• CAS Number: 6174-95-4
• PubChem SID: 162094097
• PubChem CID: 80313

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0777133
• LogD (pH = 7.4): 2.0777133
• Log P: 2.0777133
• Molar Refractivity: 74.8264 cm^3
• Polarizability: 29.541195 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205897

MP Biomedicals Rare Chemical collection