5-Methyl-1-hexen-3-one

CAS Registry Number®

2177-32-4

CAS Name

5-Methyl-1-hexen-3-one

Molecular Formula

C7H12O

Molecular Mass

112.17

Cite this Page

5-Methyl-1-hexen-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2177-32-4 (retrieved 2024-11-21) (CAS RN: 2177-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    32 °C @ Press: 10 Torr

  • Density (2)

    0.8400 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3

InChIKey

InChIKey=CMXNFXBFNYHFAL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Hexen-3-one, 5-methyl-
  • 5-Methyl-1-hexen-3-one
  • 5-Methyl-3-oxo-1-hexene
  • Vinyl isobutyl ketone
  • Isobutyl vinyl ketone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration