1,1′-(2,2-Dimethyl-1,3-propanediyl) bis(3-oxobutanoate)

CAS Registry Number®

14276-67-6

CAS Name

1,1′-(2,2-Dimethyl-1,3-propanediyl) bis(3-oxobutanoate)

Molecular Formula

C13H20O6

Molecular Mass

272.29

Cite this Page

1,1′-(2,2-Dimethyl-1,3-propanediyl) bis(3-oxobutanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14276-67-6 (retrieved 2024-11-22) (CAS RN: 14276-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    148 °C @ Press: 0.2 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H20O6/c1-9(14)5-11(16)18-7-13(3,4)8-19-12(17)6-10(2)15/h5-8H2,1-4H3

InChIKey

InChIKey=RASITSWSKYLIEX-UHFFFAOYSA-N

SMILES

C(C(COC(CC(C)=O)=O)(C)C)OC(CC(C)=O)=O

Canonical SMILES

O=C(OCC(C)(C)COC(=O)CC(=O)C)CC(=O)C

Other Names for this Substance

  • Butanoic acid, 3-oxo-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester
  • Acetoacetic acid, 2,2-dimethyltrimethylene ester
  • Butanoic acid, 3-oxo-, 2,2-dimethyl-1,3-propanediyl ester
  • 1,1′-(2,2-Dimethyl-1,3-propanediyl) bis(3-oxobutanoate)
  • 2,2-Dimethyl-1,3-propanediyl acetoacetate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration