Cas no 88912-55-4 (1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans-)

1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans- structure
88912-55-4 structure
Product Name:1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans-
CAS No:88912-55-4
MF:C14H24O4
MW:256.337965011597
CID:619874
PubChem ID:23444114
Update Time:2025-04-19

1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Cyclohexanedicarboxylic acid, dipropyl ester, trans-
    • dipropyl cyclohexane-1,4-dicarboxylate
    • 88912-55-4
    • DTXSID00634203
    • SCHEMBL526510
    • Inchi: 1S/C14H24O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h11-12H,3-10H2,1-2H3
    • InChI Key: YTZVKGLPOSQCML-UHFFFAOYSA-N
    • SMILES: O(CCC)C(C1CCC(C(=O)OCCC)CC1)=O

Computed Properties

  • Exact Mass: 256.16745924g/mol
  • Monoisotopic Mass: 256.16745924g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 239
  • 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: 2.9
  • Topological Polar Surface Area: 52.6?2
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