Cas no 18989-35-0 (Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-)

Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]- structure
18989-35-0 structure
Product Name:Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-
CAS No:18989-35-0
MF:C22H22O
MW:302.409486293793
CID:206634
PubChem ID:86812
Update Time:2025-04-19

Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-
    • (2E,6Z)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
    • 2,6-bis(p-methylbenzylidene)cyclohexan-1-one
    • 2,6-bis(4-methylbenzylidene)cyclohexanone
    • Einecs 242-723-6
    • 2,6-Bis(p-methylbenzylidene)cyclohexanone
    • 1,3-Bis(4-methylbenzylidene)cyclohexane-2-one
    • 2,6-Bis(4-methylbenzylidene)cyclohexane-1-one
    • 2,6-Bis[(4-methylphenyl)methylene]cyclohexanone
    • (2Z,6E)-2,6-bis(4-methylbenzylidene)cyclohexanone
    • 2,6-bis(4'-methylbenzylidene) cyclohexanone
    • NS00053697
    • 2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
    • SCHEMBL11482543
    • 18989-35-0
    • DTXSID40940512
    • Inchi: 1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3
    • InChI Key: CETXDHNPPYXEOF-UHFFFAOYSA-N
    • SMILES: O=C1C(=CC2C=CC(C)=CC=2)CCCC1=CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 302.16716
  • Monoisotopic Mass: 302.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 426
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 5.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.115
  • Boiling Point: 495.2°Cat760mmHg
  • Flash Point: 217.5°C
  • Refractive Index: 1.648
  • PSA: 17.07
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