Cas no 78052-01-4 (2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde)

2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde structure
78052-01-4 structure
Product Name:2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde
CAS No:78052-01-4
MF:C11H18O2
MW:182.259423732758
CID:5694675
PubChem ID:130024843
Update Time:2025-10-28

2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2,2,4,4-TETRAMETHYL-6-OXOCYCLOHEXANE-1-CARBALDEHYDE
    • 78052-01-4
    • EN300-1139699
    • Cyclohexanecarboxaldehyde, 2,2,4,4-tetramethyl-6-oxo-
    • 2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde
    • Inchi: 1S/C11H18O2/c1-10(2)5-9(13)8(6-12)11(3,4)7-10/h6,8H,5,7H2,1-4H3
    • InChI Key: TVSGMGXTCJYPSF-UHFFFAOYSA-N
    • SMILES: O=C1CC(C)(C)CC(C)(C)C1C=O

Computed Properties

  • Exact Mass: 182.130679813g/mol
  • Monoisotopic Mass: 182.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 0.978±0.06 g/cm3(Predicted)
  • Boiling Point: 248.6±33.0 °C(Predicted)
  • pka: 7.26±0.60(Predicted)

2,2,4,4-Tetramethyl-6-oxocyclohexane-1-carbaldehyde Pricemore >>

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