Cas no 57289-16-4 (1,1,8a-trimethyloctahydronaphthalene-2,6-dione)

1,1,8a-trimethyloctahydronaphthalene-2,6-dione structure
57289-16-4 structure
Product Name:1,1,8a-trimethyloctahydronaphthalene-2,6-dione
CAS No:57289-16-4
MF:C13H20O2
MW:208.296704292297
CID:1602841
PubChem ID:42264
Update Time:2025-04-21

1,1,8a-trimethyloctahydronaphthalene-2,6-dione Chemical and Physical Properties

Names and Identifiers

    • 1,1,8a-trimethyloctahydronaphthalene-2,6-dione
    • 1,1,8a-Trimethyloctahydro-2,6-naphthalenedione
    • 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione
    • 1,1,8a-Trimethyloctahydro-2,6-naphthalenedione #
    • DTXSID90972803
    • 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-
    • DCXYTWFLOVRYLZ-UHFFFAOYSA-N
    • 57289-16-4
    • Inchi： 1S/C13H20O2/c1-12(2)11(15)5-4-9-8-10(14)6-7-13(9,12)3/h9H,4-8H2,1-3H3
    • InChI Key： DCXYTWFLOVRYLZ-UHFFFAOYSA-N
    • SMILES： O=C1CCC2CC(CCC2(C)C1(C)C)=O

Computed Properties

  • Exact Mass: 208.1464
  • Monoisotopic Mass: 208.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 317
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.018
  • Boiling Point: 305.9°C at 760 mmHg
  • Flash Point: 114.3°C
  • Refractive Index: 1.482
  • PSA: 34.14

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