Cas no 841-07-6 (Benzene, 1,3,5-tributyl-)

Benzene, 1,3,5-tributyl- structure
Benzene, 1,3,5-tributyl- structure
Product Name:Benzene, 1,3,5-tributyl-
CAS No:841-07-6
MF:C18H30
MW:246.430805683136
CID:667771
PubChem ID:522808
Update Time:2025-04-19

Benzene, 1,3,5-tributyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3,5-tributyl-
    • 1,3,5-tributylbenzene
    • DTXSID70335073
    • 841-07-6
    • AVYPEYYPGYMFDO-UHFFFAOYSA-N
    • Inchi: 1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3
    • InChI Key: AVYPEYYPGYMFDO-UHFFFAOYSA-N
    • SMILES: C1(C=C(C=C(C=1)CCCC)CCCC)CCCC

Computed Properties

  • Exact Mass: 246.234750957g/mol
  • Monoisotopic Mass: 246.234750957g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 139
  • 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: 7.6
  • Topological Polar Surface Area: 0?2
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