Cas no 7506-25-4 (2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione))

2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione) structure
7506-25-4 structure
Product Name:2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione)
CAS No:7506-25-4
MF:C24H30O6
MW:414.491407871246
CID:981176
PubChem ID:348035
Update Time:2025-04-19

2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione) Chemical and Physical Properties

Names and Identifiers

    • 2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione)
    • (4-hydroxy-3-methoxybenzylidene)bis(dimedone)
    • (4-hydroxy-3-methoxybenzylidene)bisdimedone
    • 2,2'-(4-hydroxy-3-methoxybenzylidene)bis(5,5-dimethylcyclohexane-1,3-dione)
    • 5,5,5',5'-Tetramethyl-2,2'-vanillyliden-bis-cyclohexan-1,3-dion
    • 5,5,5',5'-tetramethyl-2,2'-vanillylidene-bis-cyclohexane-1,3-dione
    • AC1L88O4
    • CBMicro_016152
    • CCG-5306
    • HMS2868J05
    • NSC407054
    • Oprea1_228620
    • Oprea1_731119
    • STOCK2S-35876
    • SMR000539468
    • MLS001164091
    • 2-[(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYL)(4-HYDROXY-3-METHOXYPHENYL)METHYL]-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
    • SR-01000202752-1
    • BIM-0016285.P001
    • UNM000000687501
    • 7506-25-4
    • 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-hydroxy-3-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
    • AKOS002376193
    • AtPCO4-IN-1
    • SR-01000202752
    • 2,2'-[(4-hydroxy-3-methoxyphenyl)methylene]bis(5,5-dimethyl-1,3-cyclohexanedione)
    • HY-155375
    • NSC-407054
    • DTXSID60324557
    • CS-0901344
    • 2,2'-[(4-hydroxy-3-methoxyphenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione)
    • CHEMBL1478304
    • STL330007
    • 2,2'-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione)
    • 2-[(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYL)(4-HYDROXY-3-METHOXYPHENYL)METHYL]-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE
    • Inchi： 1S/C24H30O6/c1-23(2)9-15(26)21(16(27)10-23)20(13-6-7-14(25)19(8-13)30-5)22-17(28)11-24(3,4)12-18(22)29/h6-8,20-22,25H,9-12H2,1-5H3
    • InChI Key： LSKSXWZFRKMWNC-UHFFFAOYSA-N
    • SMILES： O=C1CC(C)(C)CC(C1C(C1C=CC(=C(C=1)OC)O)C1C(CC(C)(C)CC1=O)=O)=O

Computed Properties

  • Exact Mass: 414.2043
  • Monoisotopic Mass: 414.20423867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 648
  • 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: 2.8
  • Topological Polar Surface Area: 97.7?2

Experimental Properties

  • PSA: 97.74

2,2''-[(4-hydroxy-3-methoxyphenyl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione) Related Literature

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