Cas no 331673-15-5 (1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester)

1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester structure
331673-15-5 structure
Product Name:1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester
CAS No:331673-15-5
MF:C26H48O4
MW:424.656929016113
CID:1455353
PubChem ID:12151622
Update Time:2025-04-20

1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclohexanedicarboxylic acid, dinonyl ester
    • 1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester
    • dinonyl cyclohexane-1,2-dicarboxylate
    • SCHEMBL1296641
    • NS00073862
    • cyclohexan-1,2-dicarbonsauredinonylester
    • starbld0033645
    • DTXSID70274054
    • 331673-15-5
    • GGLHXZYMYYBBHT-UHFFFAOYSA-N
    • Inchi: 1S/C26H48O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
    • InChI Key: GGLHXZYMYYBBHT-UHFFFAOYSA-N
    • SMILES: O(CCCCCCCCC)C(C1CCCCC1C(=O)OCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 424.35544
  • Monoisotopic Mass: 424.35526001g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 20
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

1,2-Cyclohexanedicarboxylic Acid 1,2-Dinonyl Ester Security Information

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