Cas no 7077-71-6 ( )

  structure
  structure
Product Name: 
CAS No:7077-71-6
MF:C16H30O2
MW:254.408205509186
CID:975609
PubChem ID:292833
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • NSC 159003
    • 7077-71-6
    • CHEMBL4644923
    • NSC-159003
    • NSC159003
    • DTXSID40303542
    • 2-(2-cyclohexylethyl)octanoic acid
    • SCHEMBL5372534
    •  
    • Inchi： 1S/C16H30O2/c1-2-3-4-8-11-15(16(17)18)13-12-14-9-6-5-7-10-14/h14-15H,2-13H2,1H3,(H,17,18)
    • InChI Key： WWDJPNTZDVALDA-UHFFFAOYSA-N
    • SMILES： OC(C(CCCCCC)CCC1CCCCC1)=O

Computed Properties

  • Exact Mass: 254.2247
  • Monoisotopic Mass: 254.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 219
  • 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: 6.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.938
  • Boiling Point: 375.3°C at 760 mmHg
  • Flash Point: 173.2°C
  • Refractive Index: 1.469
  • PSA: 37.3

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