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Phenol, tetramethyl- | 66586-93-4

Product name:Phenol, tetramethyl-

CAS No:66586-93-4
MF:C38H72O6
MW:624.97468
CID:396114
PubChem ID:227233
Names and Identifiers
  • Phenol, tetramethyl-
  • 4,7-di(decanoyloxy)octyl decanoate
  • TETRAMETHYL-PHENOL
  • DTXSID00280789
  • NSC-18577
  • NSC18577
  • octane-1,4,7-triyl tridecanoate
  • 66586-93-4
  • 5453-36-1
  • InChIKey:YUQPLGDFRZAIPX-UHFFFAOYSA-N
  • Inchi:InChI=1S/C38H72O6/c1-5-8-11-14-17-20-23-28-36(39)42-33-26-27-35(44-38(41)30-25-22-19-16-13-10-7-3)32-31-34(4)43-37(40)29-24-21-18-15-12-9-6-2/h34-35H,5-33H2,1-4H3
  • SMILES:CCCCCCCCCC(=O)OCCCC(CCC(C)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 150.10452
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 36
  • Monoisotopic Mass: 624.53289001g/mol
  • Heavy Atom Count: 44
  • Complexity: 664
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 14.1
  • Topological Polar Surface Area: 78.9Ų

Experimental Properties

  • PSA: 20.23
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