Cas no 153742-13-3 (Dimethyl 2-(3',3'-dimethylbutyl)malonate)

Dimethyl 2-(3',3'-dimethylbutyl)malonate structure
153742-13-3 structure
Product Name:Dimethyl 2-(3',3'-dimethylbutyl)malonate
CAS No:153742-13-3
MF:C11H20O4
MW:216.274104118347
CID:106310
PubChem ID:46779062
Update Time:2025-04-18

Dimethyl 2-(3',3'-dimethylbutyl)malonate Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(3,3-dimethylbutyl)-, 1,3-dimethyl ester
    • DIMETHYL 2-(3'',3''-DIMETHYLBUTYL)MALONATE
    • 2-(3,3-dimethylbutyl)malonic acid dimethyl ester
    • 2-isobutylidene malonic acid dimethyl ester
    • Dimethyl (2-methylpropylidene)malonate
    • Dimethyl 2-(2-methylpropylidene)malonate
    • dimethyl 2-(3,3-dimethyl butyl) malonate
    • dimethyl isobutylidenenemalonate
    • methyl 4,4-dimethyl-2-(methoxycarbonyl)-2-pentenoate
    • Propanedioic acid,(2-methylpropylidene)-,dimethyl ester
    • 153742-13-3
    • Dimethyl 2-(3,3-dimethylbutyl)propanedioate
    • DIMETHYL 2-(3/'/',3/'/'-DIMETHYLBUTYL)MALONATE
    • AKOS025396805
    • Dimethyl2-(3,3-dimethylbutyl)propanedioate
    • 1,3-DIMETHYL 2-(3,3-DIMETHYLBUTYL)PROPANEDIOATE
    • Dimethyl 2-(3',3'-dimethylbutyl)malonate
    • Inchi: 1S/C11H20O4/c1-11(2,3)7-6-8(9(12)14-4)10(13)15-5/h8H,6-7H2,1-5H3
    • InChI Key: NOPWKBWBEGACGN-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C(=O)OC)CCC(C)(C)C)=O

Computed Properties

  • Exact Mass: 216.13600
  • Monoisotopic Mass: 216.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 211
  • 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
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 2.8

Experimental Properties

  • Refractive Index: 1.433
  • PSA: 52.60000
  • LogP: 1.77490

Dimethyl 2-(3',3'-dimethylbutyl)malonate Pricemore >>

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