Cas no 28781-91-1 (1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester)

1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester structure
28781-91-1 structure
Product Name:1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester
CAS No:28781-91-1
MF:C15H20O12
MW:392.312106132507
CID:238145
PubChem ID:3308899
Update Time:2025-04-19

1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester
    • hexamethyl propane-1,1,2,2,3,3-hexacarboxylate
    • SCHEMBL10801946
    • AKOS001632083
    • SR-01000454996-1
    • SR-01000454996
    • 28781-91-1
    • 1,1,2,2,3,3-hexamethyl Propane-1,1,2,2,3,3-hexacarboxylate
    • hexamethyl 1,1,2,2,3,3-propane-hexacarboxylate
    • DTXSID10391310
    • Inchi： 1S/C15H20O12/c1-22-9(16)7(10(17)23-2)15(13(20)26-5,14(21)27-6)8(11(18)24-3)12(19)25-4/h7-8H,1-6H3
    • InChI Key： LDUSPBRBIGPHRQ-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C(=O)OC)(C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC)=O

Computed Properties

  • Exact Mass: 392.0954
  • Monoisotopic Mass: 392.09547607g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 14
  • Complexity: 536
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • PSA: 157.8

1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester Related Literature

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