Cas no 16064-83-8 (dihexyl maleate)

dihexyl maleate structure
dihexyl maleate structure
Product Name:dihexyl maleate
CAS No:16064-83-8
MF:C16H28O4
MW:284.391125679016
CID:1339908
PubChem ID:5271573
Update Time:2025-04-20

dihexyl maleate Chemical and Physical Properties

Names and Identifiers

    • dihexyl maleate
    • 2-Butenedioic acid (2Z)-, 1,4-dihexyl ester
    • AI3-00997
    • Bis(1-hexyl) maleate
    • Di-n-hexyl maleate
    • 2-Butenedioic acid (2Z)-, dihexyl ester
    • 2-Butenedioic acid, (Z)-, dihexyl ester
    • dihexyl (2Z)-but-2-enedioate
    • SCHEMBL573258
    • 644078XM7J
    • UNII-644078XM7J
    • MALEIC ACID, DIHEXYL ESTER
    • dihexyl (Z)-but-2-enedioate
    • EINECS 240-208-0
    • CHEMBL3247953
    • W-110424
    • NS00012227
    • 16064-83-8
    • QMCVOSQFZZCSLN-QXMHVHEDSA-N
    • DTXSID201016721
    • 2-Butenedioic acid, dihexyl ester, (2Z)-
    • Inchi: 1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-
    • InChI Key: QMCVOSQFZZCSLN-QXMHVHEDSA-N
    • SMILES: O(C(/C=C\C(=O)OCCCCCC)=O)CCCCCC

Computed Properties

  • Exact Mass: 284.19884
  • Monoisotopic Mass: 284.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 14
  • Complexity: 256
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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