Rotundifolone

CAS Registry Number®

3564-96-3

CAS Name

Rotundifolone

Molecular Formula

C10H14O2

Molecular Mass

166.22

Cite this Page

Rotundifolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5945-46-0 (retrieved 2024-12-22) (CAS RN: 3564-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-85 °C @ Press: 4 Torr

  • Melting Point (2)

    27.5 °C

  • Density (1)

    1.0497 g/cm³ @ Temp: 22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10+/m1/s1

InChIKey

InChIKey=AKASWINDKIEEBO-ZJUUUORDSA-N

SMILES

C[C@]12[C@](O1)(C(=O)C(=C(C)C)CC2)[H]

Canonical SMILES

O=C1C(=C(C)C)CCC2(OC12)C

Other Names for this Substance

  • 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethylidene)-, (1S,6S)-
  • Lippione
  • 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethylidene)-, (1S)-
  • (1S,6S)-6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one
  • Rotundifolone

View All

Deleted or Replaced CAS Registry Numbers

5056-08-6, 5945-46-0, 29592-74-3

CAS INSIGHTSTM
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