Cas no 118855-38-2 (2-Cyclopenten-1-one,3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)-)

2-Cyclopenten-1-one,3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)- structure
118855-38-2 structure
Product Name:2-Cyclopenten-1-one,3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)-
CAS No:118855-38-2
MF:C15H22O2
MW:234.333984851837
CID:147050
Update Time:2024-03-01

2-Cyclopenten-1-one,3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)- Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclopenten-1-one,3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)-
    • Mandassidione
    • 2-Cyclopenten-1-one, 3-methyl-2-[2-(1-methylethenyl)-5-oxohexyl]-, (-)-
    • Inchi: 1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h13H,1,5-9H2,2-4H3
    • InChI Key: VALJTPGALJMVTL-UHFFFAOYSA-N
    • SMILES: C1(=O)CCC(C)=C1CC(C(C)=C)CCC(=O)C

Computed Properties

  • Exact Mass: 234.16206
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • XLogP3: 1.811

Experimental Properties

  • Density: 0.976±0.06 g/cm3(Predicted)
  • Boiling Point: 374.2±42.0 °C(Predicted)
  • PSA: 34.14
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