Cas no 100208-33-1 (Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester)

Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester structure
100208-33-1 structure
Product Name:Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
CAS No:100208-33-1
MF:C30H54O8
MW:542.744970798492
CID:187702
PubChem ID:113437
Update Time:2025-04-19

Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
    • bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate
    • bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] hexanedioate
    • Bis(1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl) adipate
    • EINECS 309-234-0
    • Hexanedioic acid bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
    • 100208-33-1
    • NS00066618
    • Bis{2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl} hexanedioate
    • Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl]adipate
    • Bis(1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) adipate
    • SCHEMBL9718333
    • DTXSID00905263
    • Inchi： 1S/C30H54O8/c1-19(2)25(29(9,10)17-35-27(33)21(5)6)37-23(31)15-13-14-16-24(32)38-26(20(3)4)30(11,12)18-36-28(34)22(7)8/h19-22,25-26H,13-18H2,1-12H3
    • InChI Key： OBTPBXTVFUGBNW-UHFFFAOYSA-N
    • SMILES： O(C(CCCCC(=O)OC(C(C)C)C(C)(C)COC(C(C)C)=O)=O)C(C(C)C)C(C)(C)COC(C(C)C)=O

Computed Properties

  • Exact Mass: 542.38200
  • Monoisotopic Mass: 542.38186868g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 21
  • Complexity: 700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.6
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.20000
  • LogP: 6.13320

Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester Related Literature

100208-33-1 (Hexanedioic acid,1,6-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester) Related Products

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