Cas no 141334-24-9 (Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester)

Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester structure
141334-24-9 structure
Product Name:Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester
CAS No:141334-24-9
MF:C20H38BO2
MW:321.325526714325
CID:1305449
PubChem ID:71343646
Update Time:2025-04-20

Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester Chemical and Physical Properties

Names and Identifiers

    • bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]boron
    • Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester
    • Bis{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}boranyl
    • 141334-24-9
    • DTXSID00770211
    • Inchi: 1S/C20H38BO2/c1-13(2)17-9-7-15(5)11-19(17)22-21-23-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
    • InChI Key: WCLLCTLGCJAZOQ-UHFFFAOYSA-N
    • SMILES: O([B]OC1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C |^1:1|

Computed Properties

  • Exact Mass: 321.30807
  • Monoisotopic Mass: 321.2964856g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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