Cas no 22220-44-6 (2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-)

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl- structure
22220-44-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-
CAS No:22220-44-6
MF:C16H24O4
MW:280.359365463257
CID:266695
PubChem ID:290489
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonyl-
    • 2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione
    • 2,5-Dihydroxy-3-methyl-6-nonyl-[1,4]benzochinon
    • 2,5-dihydroxy-3-methyl-6-nonyl-[1,4]benzoquinone
    • A816115
    • AC1L6DVN
    • AC1Q6BPQ
    • AG-J-78721
    • AR-1D4331
    • CTK4E8924
    • NSC154023
    • 2,5-dihydroxy-3-methyl-6-n-nonyl-1,4-benzoquinone
    • 22220-44-6
    • NSC-154023
    • DTXSID10302820
    • Inchi: 1S/C16H24O4/c1-3-4-5-6-7-8-9-10-12-15(19)13(17)11(2)14(18)16(12)20/h17,20H,3-10H2,1-2H3
    • InChI Key: STCQCMDMLGSSTG-UHFFFAOYSA-N
    • SMILES: OC1C(C(C)=C(C(C=1CCCCCCCCC)=O)O)=O

Computed Properties

  • Exact Mass: 280.16752
  • Monoisotopic Mass: 280.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 443
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.143
  • Boiling Point: 415.6°Cat760mmHg
  • Flash Point: 219.3°C
  • Refractive Index: 1.538
  • PSA: 74.6
  • LogP: 3.92300
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