Cas no 87937-03-9 (3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-)

3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)- structure
87937-03-9 structure
Product Name:3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
CAS No:87937-03-9
MF:C6H10O3
MW:130.141802310944
CID:582200
PubChem ID:71405450
Update Time:2025-04-19

3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • 3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
    • DTXSID90826099
    • (1S)-5-Methyl-3,6,8-trioxabicyclo[3.2.1]octane
    • 87937-03-9
    • Inchi: 1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6?/m0/s1
    • InChI Key: ZYYRPZUNVFRMSX-ZBHICJROSA-N
    • SMILES: O1[C@H]2COCC1(C)OC2

Computed Properties

  • Exact Mass: 130.062994177g/mol
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 126
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 27.7?2
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