Cas no 52056-69-6 (2H-Pyran, 2-[(11-bromoundecyl)oxy]tetrahydro-)

2H-Pyran, 2-[(11-bromoundecyl)oxy]tetrahydro- structure
52056-69-6 structure
Product Name:2H-Pyran, 2-[(11-bromoundecyl)oxy]tetrahydro-
CAS No:52056-69-6
MF:C16H31BrO2
MW:335.320144891739
CID:360770
PubChem ID:11416388
Update Time:2025-04-19

2H-Pyran, 2-[(11-bromoundecyl)oxy]tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran, 2-[(11-bromoundecyl)oxy]tetrahydro-
    • 2-(11-bromoundecoxy)oxane
    • 11-bromoundecyltetrahydropyranyl ether
    • SCHEMBL1069647
    • 2-((11-bromoundecyl)oxy)tetrahydro-2H-pyran
    • 2-(11-bromoundecyloxy)-tetrahydropyran
    • 11-Bromo-1-tetrahydropyranyloxyundecane
    • 11-(tetrahydropyran-2-yloxy)-1-bromoundecane
    • 2-(11-bromoundecoxy)-tetrahydropyrane
    • Br(CH2)11OTHP
    • 11-(tetrahydropyran-2-yloxy)- 1-bromoundecane
    • 2-(11-bromoun-decoxy)-tetrahydropyrane
    • GWJIBEXHLZWCRJ-UHFFFAOYSA-N
    • 52056-69-6
    • 11-Bromo-1(tetrahydro-2-pyranyloxy) Undecane
    • DTXSID40465255
    • Inchi: 1S/C16H31BrO2/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h16H,1-15H2
    • InChI Key: GWJIBEXHLZWCRJ-UHFFFAOYSA-N
    • SMILES: BrCCCCCCCCCCCOC1CCCCO1

Computed Properties

  • Exact Mass: 334.15083
  • Monoisotopic Mass: 334.15074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 12
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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