Cas no 65676-18-8 (cyclododecyl chloroformate)

cyclododecyl chloroformate structure
cyclododecyl chloroformate structure
Product Name:cyclododecyl chloroformate
CAS No:65676-18-8
MF:C13H23ClO2
MW:246.773523569107
CID:962318
PubChem ID:3017617
Update Time:2025-04-19

cyclododecyl chloroformate Chemical and Physical Properties

Names and Identifiers

    • cyclododecyl chloroformate
    • cyclododecyl carbonochloridate
    • cyclododecyl chlorocarbonate
    • DTXSID90984224
    • 65676-18-8
    • EINECS 265-868-7
    • RUVAAQJZCQKNAU-UHFFFAOYSA-N
    • NS00055450
    • SCHEMBL7755982
    • Inchi: 1S/C13H23ClO2/c14-13(15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
    • InChI Key: RUVAAQJZCQKNAU-UHFFFAOYSA-N
    • SMILES: ClC(=O)OC1CCCCCCCCCCC1

Computed Properties

  • Exact Mass: 246.13879
  • Monoisotopic Mass: 246.1386577g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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