Cas no 87802-96-8 (Propanedioic acid, [1-(1-methylethyl)-2-propenyl]-, dimethyl ester)

Propanedioic acid, [1-(1-methylethyl)-2-propenyl]-, dimethyl ester structure
87802-96-8 structure
Product Name:Propanedioic acid, [1-(1-methylethyl)-2-propenyl]-, dimethyl ester
CAS No:87802-96-8
MF:C11H18O4
MW:214.258224010468
CID:652186
PubChem ID:71412085
Update Time:2025-04-19

Propanedioic acid, [1-(1-methylethyl)-2-propenyl]-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, [1-(1-methylethyl)-2-propenyl]-, dimethyl ester
    • dimethyl 2-(4-methylpent-1-en-3-yl)propanedioate
    • Dimethyl (4-methylpent-1-en-3-yl)propanedioate
    • 87802-96-8
    • DTXSID80831657
    • Inchi: 1S/C11H18O4/c1-6-8(7(2)3)9(10(12)14-4)11(13)15-5/h6-9H,1H2,2-5H3
    • InChI Key: VVTRDOQIOTVTDJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C(=O)OC)C(C=C)C(C)C)=O

Computed Properties

  • Exact Mass: 214.12050905g/mol
  • Monoisotopic Mass: 214.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 229
  • 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: 2.4
  • Topological Polar Surface Area: 52.6?2
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