Cas no 311-75-1 (Bicyclo[1.1.1]pentane)

Bicyclo[1.1.1]pentane structure
Bicyclo[1.1.1]pentane structure
Product Name:Bicyclo[1.1.1]pentane
CAS No:311-75-1
MF:C5H8
MW:68.1170215606689
CID:312784
PubChem ID:136153
Update Time:2025-04-19

Bicyclo[1.1.1]pentane Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[1.1.1]pentane
    • Bicyclo(1.1.1)pentane
    • [1]Staffane
    • DTXSID60185044
    • 311-75-1
    • Inchi: 1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2
    • InChI Key: MKCBRYIXFFGIKN-UHFFFAOYSA-N
    • SMILES: C12CC(C1)C2

Computed Properties

  • Exact Mass: 68.06264
  • Monoisotopic Mass: 68.0626
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 28.5
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.976
  • Boiling Point: 49.1°C at 760 mmHg
  • Refractive Index: 1.517
  • PSA: 0
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