Cas no 103391-77-1 (1,2-ditert-butyl-4-methylbenzene)

1,2-ditert-butyl-4-methylbenzene structure
103391-77-1 structure
Product Name:1,2-ditert-butyl-4-methylbenzene
CAS No:103391-77-1
MF:C15H24
MW:204.351064682007
CID:1136967
PubChem ID:14664695
Update Time:2025-04-20

1,2-ditert-butyl-4-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-ditert-butyl-4-methylbenzene
    • 103391-77-1
    • DTXSID50562749
    • 1,2-Di-tert-butyl-4-methylbenzene
    • 3,4-di-t-butyl toluene
    • Inchi: 1S/C15H24/c1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7/h8-10H,1-7H3
    • InChI Key: NFVRFNJUNZNKTA-UHFFFAOYSA-N
    • SMILES: C(C)(C)(C)C1C=C(C)C=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 204.187801g/mol
  • Monoisotopic Mass: 204.187801g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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
  • Molecular Weight: 204.35g/mol
  • XLogP3: 5.6
  • Topological Polar Surface Area: 0?2
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