Cas no 154425-03-3 (2,5-Bis[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylate)

2,5-Bis[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylate structure
154425-03-3 structure
Product Name:2,5-Bis[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylate
CAS No:154425-03-3
MF:C34H52O8
MW:588.771891593933
CID:2779298
Update Time:2023-08-07

2,5-Bis[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 2,5-Bis[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylate
    • Inchi: 1S/C34H54O8/c1-3-5-7-9-11-13-15-17-19-21-23-41-33(39)29-25-28(32(37)38)30(26-27(29)31(35)36)34(40)42-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H,35,36)(H,37,38)/p-2
    • InChI Key: CNPWQUAOQGOLEJ-UHFFFAOYSA-L
    • SMILES: O(C(C1C=C(C(=O)[O-])C(=CC=1C(=O)[O-])C(=O)OCCCCCCCCCCCC)=O)CCCCCCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 26
  • Complexity: 679
  • XLogP3: 13.1
  • Topological Polar Surface Area: 133
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