Cas no 38535-07-8 (Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate)

Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate structure
38535-07-8 structure
Product Name:Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
CAS No:38535-07-8
MF:C12H22O6
MW:262.299484729767
CID:2186225
Update Time:2023-08-05

Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-2-(4-hydroxy-4-methylpentyl)succinic acid dimethyl ester
    • Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
    • Inchi: 1S/C12H22O6/c1-11(2,15)6-5-7-12(16,10(14)18-4)8-9(13)17-3/h15-16H,5-8H2,1-4H3
    • InChI Key: KHBKQGSSJZDPSJ-UHFFFAOYSA-N
    • SMILES: OC(C(=O)OC)(CC(=O)OC)CCCC(C)(C)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 299
  • XLogP3: 0.1
  • Topological Polar Surface Area: 93.1
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