Cas no 18346-83-3 (Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI))

Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI) structure
18346-83-3 structure
Product Name:Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI)
CAS No:18346-83-3
MF:C26H32O2
MW:376.531087875366
CID:231419
PubChem ID:433767
Update Time:2025-04-19

Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone,2-isopropyl-4-isovaleryl-3,5-diphenyl-, (all-trans)- (8CI)
    • 4-(3-methylbutanoyl)-3,5-diphenyl-2-propan-2-ylcyclohexan-1-one
    • NSC-338009
    • NSC338009
    • 18346-83-3
    • DTXSID50330945
    • Inchi: 1S/C26H32O2/c1-17(2)15-22(27)26-21(19-11-7-5-8-12-19)16-23(28)24(18(3)4)25(26)20-13-9-6-10-14-20/h5-14,17-18,21,24-26H,15-16H2,1-4H3
    • InChI Key: PMEIYUNEINNLCA-UHFFFAOYSA-N
    • SMILES: O=C1CC(C2C=CC=CC=2)C(C(CC(C)C)=O)C(C2C=CC=CC=2)C1C(C)C

Computed Properties

  • Exact Mass: 376.24036
  • Monoisotopic Mass: 376.240230259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 523
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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