Cas no 90676-30-5 ( )

  structure
  structure
Product Name: 
CAS No:90676-30-5
MF:C9H18O
MW:142.238623142242
CID:995033
PubChem ID:226595
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 2,5-diethylcyclopentan-1-ol
    • NSC17222
    • DTXSID50280512
    • NSC-17222
    • 90676-30-5
    •  
    • Inchi: 1S/C9H18O/c1-3-7-5-6-8(4-2)9(7)10/h7-10H,3-6H2,1-2H3
    • InChI Key: HHEOJCPIEOFCDC-UHFFFAOYSA-N
    • SMILES: OC1C(CC)CCC1CC

Computed Properties

  • Exact Mass: 142.136
  • Monoisotopic Mass: 142.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 88.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.884
  • Boiling Point: 191.8°C at 760 mmHg
  • Flash Point: 75.2°C
  • Refractive Index: 1.45
  • PSA: 20.23000
  • LogP: 2.19350
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