Cas no 159646-63-6 (1-Hexadecyloxy-3,5-bis(hydroxymethyl)benzene)

1-Hexadecyloxy-3,5-bis(hydroxymethyl)benzene structure
159646-63-6 structure
Product Name:1-Hexadecyloxy-3,5-bis(hydroxymethyl)benzene
CAS No:159646-63-6
MF:C24H42O3
MW:378.588488101959
CID:2780074
Update Time:2023-08-07

1-Hexadecyloxy-3,5-bis(hydroxymethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 5-(Hexadecyloxy)-1,3-benzenedimethanol
    • [5-(Hexadecyloxy)-1,3-phenylene]dimethanol
    • 1-Hexadecyloxy-3,5-bis(hydroxymethyl)benzene
    • Inchi: 1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-24-18-22(20-25)17-23(19-24)21-26/h17-19,25-26H,2-16,20-21H2,1H3
    • InChI Key: IUTQWDRWRYEEHO-UHFFFAOYSA-N
    • SMILES: O(C1C=C(CO)C=C(CO)C=1)CCCCCCCCCCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 18
  • Complexity: 296
  • XLogP3: 7.9
  • Topological Polar Surface Area: 49.7
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