Cas no 106731-56-0 (Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate)

Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate structure
106731-56-0 structure
Product Name:Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate
CAS No:106731-56-0
MF:C23H36O12
MW:504.524748802185
CID:2624264
PubChem ID:13614262
Update Time:2025-04-21

Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate Chemical and Physical Properties

Names and Identifiers

    • DTXSID30545050
    • 106731-56-0
    • DTXCID40495835
    • Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate
    • Inchi: 1S/C23H36O12/c1-7-30-16(24)22(17(25)31-8-2,18(26)32-9-3)14-13-15-23(19(27)33-10-4,20(28)34-11-5)21(29)35-12-6/h7-15H2,1-6H3
    • InChI Key: QKKVSFDFZXDRLP-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(C(=O)OCC)CCCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)=O

Computed Properties

  • Exact Mass: 504.22067658Da
  • Monoisotopic Mass: 504.22067658Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 22
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 158?2

Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate Related Literature

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