1,3,3,5-tetraethyl pentane-1,3,3,5-tetracarboxylate

• ChemBase ID: 85018
• Molecular Formular: C17H28O8
• Molecular Mass: 360.39942
• Monoisotopic Mass: 360.17841786
• SMILES: O=C(C(C(=O)OCC)(CCC(=O)OCC)CCC(=O)OCC)OCC
• Canonical SMILES: CCOC(=O)C(C(=O)OCC)(CCC(=O)OCC)CCC(=O)OCC
• InChI: InChI=1S/C17H28O8/c1-5-22-13(18)9-11-17(15(20)24-7-3,16(21)25-8-4)12-10-14(19)23-6-2/h5-12H2,1-4H3
• InChIKey: QOYOXWTVAJBIDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3,5-tetraethyl pentane-1,3,3,5-tetracarboxylate
• IUPAC Traditional name: 1,3,3,5-tetraethyl pentane-1,3,3,5-tetracarboxylate
• Synonyms: tetraethyl pentane-1,3,3,5-tetracarboxylate

Database IDs

• MDL Number: MFCD00069068
• PubChem SID: 162072134
• PubChem CID: 226665

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9164824
• LogD (pH = 7.4): 1.9164824
• Log P: 1.9164824
• Molar Refractivity: 87.8689 cm^3
• Polarizability: 35.25407 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true