Cas no 104620-52-2 (2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl-)

2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl- structure
104620-52-2 structure
Product Name:2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl-
CAS No:104620-52-2
MF:C13H22O
MW:194.313184261322
CID:1144261
Update Time:2024-07-27

2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl-
    • Inchi： 1S/C13H22O/c1-10-7-11(9-12(14)8-10)5-6-13(2,3)4/h9-10H,5-8H2,1-4H3
    • InChI Key： ZIQNQUQSBCSHGK-UHFFFAOYSA-N
    • SMILES： C1(=O)CC(C)CC(CCC(C)(C)C)=C1

Computed Properties

  • Exact Mass: 194.16716

Experimental Properties

  • Density: 0.891±0.06 g/cm3(Predicted)
  • Boiling Point: 275.2±10.0 °C(Predicted)
  • PSA: 17.07

2-Cyclohexen-1-one, 3-(3,3-dimethylbutyl)-5-methyl- Related Literature

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