Isoacorone

CAS Registry Number®

6168-64-5
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CAS Name

Isoacorone

Molecular Formula

C15H24O2

Molecular Mass

236.35

Cite this Page

Isoacorone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6168-64-5 (retrieved 2024-04-26) (CAS RN: 6168-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96-97 °C

  • Density (2)

    1.11 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11-,14-,15-/m0/s1

InChIKey

InChIKey=AGUISGUERLMHFF-GVARAGBVSA-N

SMILES

C(C)(C)[C@@H]1[C@]2([C@@H](C)CC1=O)CC(=O)[C@@H](C)CC2

Canonical SMILES

O=C1CC2(CCC1C)C(C(=O)CC2C)C(C)C

Other Names for this Substance

  • Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, (1R,4S,5S,8S)-
  • Spiro[4.5]decane-2,7-dione, 1-isopropyl-4,8-dimethyl-, (1R,4S,5S,8S)-(-)-
  • Isoacorone
  • Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, [1R-[1α,4β,5β(S*)]]-
  • (1R,4S,5S,8S)-4,8-Dimethyl-1-(1-methylethyl)spiro[4.5]decane-2,7-dione

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