Cas no 6947-05-3 (1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester)

1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester structure
6947-05-3 structure
Product Name:1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester
CAS No:6947-05-3
MF:C10H16O6
MW:232.230443954468
CID:522022
PubChem ID:245434
Update Time:2025-04-19

1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester
    • NSC57394; AC1L6FV8; AC1Q5ZF5; CTK5D0048; AR-1I5480; NSC-57394; AG-J-07457; 1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester;
    • NSC57394
    • DTXSID20288722
    • NSC-57394
    • 6947-05-3
    • dimethyl 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylate
    • Inchi： 1S/C10H16O6/c1-5-10(2)15-6(8(11)13-3)7(16-10)9(12)14-4/h6-7H,5H2,1-4H3
    • InChI Key： MKRRGGRYAFVXFU-UHFFFAOYSA-N
    • SMILES： O1C(C(=O)OC)C(C(=O)OC)OC1(C)CC

Computed Properties

  • Exact Mass: 232.09468
  • Monoisotopic Mass: 232.094688
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 263
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 71.1
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.149
  • Boiling Point: 268.8°C at 760 mmHg
  • Flash Point: 112°C
  • Refractive Index: 1.436
  • PSA: 71.06
  • LogP: 0.24260

1,3-Dioxolane-4,5-dicarboxylicacid, 2-ethyl-2-methyl-, 4,5-dimethyl ester Related Literature

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