Cas no 121158-58-5 (Phenol, dodecyl-,branched)

Phenol, dodecyl-,branched structure
Phenol, dodecyl-,branched structure
Product Name:Phenol, dodecyl-,branched
CAS No:121158-58-5
MF:C16H26O
MW:234.377045154572
CID:207255
PubChem ID:22833469
Update Time:2025-04-19

Phenol, dodecyl-,branched Chemical and Physical Properties

Names and Identifiers

    • Phenol, dodecyl-,branched
    • 4-(3,4,5-trimethylheptyl)phenol
    • Branched laurylphenol
    • 121158-58-5
    • NS00011470
    • DTXSID70880593
    • Inchi: 1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3
    • InChI Key: AOOKHLGAVNECET-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)CCC(C)C(C)C(C)CC

Computed Properties

  • Exact Mass: 234.19848
  • Monoisotopic Mass: 234.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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