Cas no 112642-49-6 (Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (6R)-)

Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (6R)- structure
112642-49-6 structure
Product Name:Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (6R)-
CAS No:112642-49-6
MF:C14H18O2
MW:218.291524410248
CID:198045
Update Time:2024-03-01

Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (6R)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (6R)-
    • (+)-Majusculone
    • Majusculone
    • Spiro[5.5]undeca-1,7-diene-3,9-dione,1,5,5-trimethyl-, (R)-
    • Spiro[5.5]undeca-1,7-diene-3,9-dione, 1,5,5-trimethyl-, (6R)-
    • Inchi： 1S/C14H18O2/c1-10-8-12(16)9-13(2,3)14(10)6-4-11(15)5-7-14/h4,6,8H,5,7,9H2,1-3H3/t14-/m1/s1
    • InChI Key： GLVZMJJTCUYPNA-CQSZACIVSA-N
    • SMILES： C1(C)[C@@]2(CCC(=O)C=C2)C(C)(C)CC(=O)C=1

Computed Properties

  • Exact Mass: 218.13074
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • XLogP3: 2.276

Experimental Properties

  • Density: 1.07±0.1 g/cm3(Predicted)
  • Boiling Point: 360.7±42.0 °C(Predicted)
  • PSA: 34.14

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