Cas no 102072-63-9 (Dimethyl Hexacos-13-enedioate)

Dimethyl Hexacos-13-enedioate structure
Dimethyl Hexacos-13-enedioate structure
Product Name:Dimethyl Hexacos-13-enedioate
CAS No:102072-63-9
MF:C28H52O4
MW:452.710089683533
CID:1131788
PubChem ID:71332735
Update Time:2025-04-20

Dimethyl Hexacos-13-enedioate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl Hexacos-13-enedioate
    • DTXSID20761121
    • 102072-63-9
    • Inchi: 1S/C28H52O4/c1-31-27(29)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(30)32-2/h3-4H,5-26H2,1-2H3
    • InChI Key: TVUDSSLUXVKYTM-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCCCCCCC=CCCCCCCCCCCCC(=O)OC)=O

Computed Properties

  • Exact Mass: 452.38676
  • Monoisotopic Mass: 452.38656014g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 26
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 10.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd