Cas no 97692-44-9 (5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one)

5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one structure
97692-44-9 structure
Product Name:5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one
CAS No:97692-44-9
MF:C15H26O
MW:222.366344928741
CID:1002246
PubChem ID:113413
Update Time:2025-04-20

5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one Chemical and Physical Properties

Names and Identifiers

    • 5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one
    • 5-ethyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one
    • EINECS 307-697-3
    • NS00065669
    • 5-Ethyl-5-methyl-4-(propan-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one
    • 97692-44-9
    • DTXSID80913740
    • CLVSCAKIBKSJQX-UHFFFAOYSA-N
    • Inchi: 1S/C15H26O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h11,13H,7-9H2,1-6H3
    • InChI Key: CLVSCAKIBKSJQX-UHFFFAOYSA-N
    • SMILES: O=C1/C(=C(\C)/C)/CC(C(C)C)C(C)(CC)C1

Computed Properties

  • Exact Mass: 222.198
  • Monoisotopic Mass: 222.198
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.879
  • Boiling Point: 297.4°Cat760mmHg
  • Flash Point: 138.4°C
  • Refractive Index: 1.458

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