Cas no 39843-12-4 ()

39843-12-4 structure
structure
Product Name:
CAS No:39843-12-4
MF:C23H44O5
MW:400.592468261719
CID:6647478
PubChem ID:20523694
Update Time:2024-03-02

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h22,24H,3-20H2,1-2H3
    • InChI Key: YYNRZPHGSZOSAB-UHFFFAOYSA-N
    • SMILES: O(CC(CO)OC(C)=O)C(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 400.31887450g/mol
  • Monoisotopic Mass: 400.31887450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 22
  • Complexity: 370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.8
  • Topological Polar Surface Area: 72.8?2
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