1-(1,1-Dimethylethyl) 3-methyl propanedioate

CAS Registry Number®

42726-73-8

CAS Name

1-(1,1-Dimethylethyl) 3-methyl propanedioate

Molecular Formula

C8H14O4

Molecular Mass

174.19

Cite this Page

1-(1,1-Dimethylethyl) 3-methyl propanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42726-73-8 (retrieved 2024-11-21) (CAS RN: 42726-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    83-84 °C @ Press: 15 Torr

  • Melting Point (2)

    118-120 °C

  • Density (1)

    1.02 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3

InChIKey

InChIKey=XPSYZCWYRWHVCC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanedioic acid, 1-(1,1-dimethylethyl) 3-methyl ester
  • Propanedioic acid, 1,1-dimethylethyl methyl ester
  • Malonic acid, tert-butyl methyl ester
  • 1-(1,1-Dimethylethyl) 3-methyl propanedioate
  • Methyl tert-butyl malonate

View All

Deleted or Replaced CAS Registry Numbers

1622254-91-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration