Cas no 113736-30-4 (tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate)

tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate structure
113736-30-4 structure
Product Name:tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate
CAS No:113736-30-4
MF:C40H66O4
MW:610.949653148651
CID:2611512
PubChem ID:71337664
Update Time:2025-04-21

tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate Chemical and Physical Properties

Names and Identifiers

    • tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate
    • Ditetradecyl 3,3'-(1,4-phenylene)di(prop-2-enoate)
    • 113736-30-4
    • DTXSID10765355
    • Inchi: 1S/C40H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-43-39(41)33-31-37-27-29-38(30-28-37)32-34-40(42)44-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3
    • InChI Key: UEMHYDACGBTCPZ-UHFFFAOYSA-N
    • SMILES: O(C(C=CC1C=CC(=CC=1)C=CC(=O)OCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 610.49611058Da
  • Monoisotopic Mass: 610.49611058Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 32
  • Complexity: 644
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 15.8
  • Topological Polar Surface Area: 52.6?2
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