Cas no 138911-85-0 (4-(1,4-Dioxaspiro[4.7]dodecan-8-yl)butan-2-one)

4-(1,4-Dioxaspiro[4.7]dodecan-8-yl)butan-2-one structure
138911-85-0 structure
Product Name:4-(1,4-Dioxaspiro[4.7]dodecan-8-yl)butan-2-one
CAS No:138911-85-0
MF:C14H24O3
MW:240.338564872742
CID:2773624
PubChem ID:71342570
Update Time:2025-04-21

4-(1,4-Dioxaspiro[4.7]dodecan-8-yl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • DTXSID50769312
    • 4-(1,4-Dioxaspiro[4.7]dodecan-8-yl)butan-2-one
    • 138911-85-0
    • Inchi: 1S/C14H24O3/c1-12(15)5-6-13-4-2-3-8-14(9-7-13)16-10-11-17-14/h13H,2-11H2,1H3
    • InChI Key: XOKHEZYNOFGFDV-UHFFFAOYSA-N
    • SMILES: O1CCOC21CCCCC(CCC(C)=O)CC2

Computed Properties

  • Exact Mass: 240.17254462Da
  • Monoisotopic Mass: 240.17254462Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 256
  • 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: 2.2
  • Topological Polar Surface Area: 35.5?2
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