Cas no 22738-31-4 (2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel-)

2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel- structure
22738-31-4 structure
Product Name:2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel-
CAS No:22738-31-4
MF:C12H20O
MW:180.286603927612
CID:272277
PubChem ID:278224
Update Time:2025-04-19

2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel-
    • (+-)-1t-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-[2r]naphthoesaeure-aethylester
    • (+-)-1t,4a-dimethyl-(4ar,8at)-octahydro-naphthalen-2-one
    • (+-)-1t,4a-Dimethyl-(4ar,8at)-octahydro-naphthalin-2-on
    • 6,7-dimethoxy-4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-3,4-dihydronaphthalene-1(2H)-one
    • AC1Q6N8B
    • AG-K-30727
    • CTK5F9678
    • ethyl 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxyl
    • NSC113055
    • 1,4a-Dimethyl-octahydro-naphthalen-2-one
    • 1,4a-dimethyloctahydronaphthalen-2(1h)-one
    • NSC-127550
    • 74473-37-3
    • 2(1H)-Naphthalenone,4,4a,5,6,7,8,8a.beta.-octahydro-1.beta.,4a.alpha.-dimethyl-
    • 2(1H)-Naphthalenone, 3,4,4a,5,6,7,8,8a.beta.-octahydro-1.beta.,4a.alpha.-dimethyl-
    • 22738-31-4
    • 1,4a-Dimethyloctahydro-2(1H)-naphthalenone
    • 1,4a-Dimethyloctahydro-2(1H)-naphthalenone #
    • 2(1H)-Naphthalenone, octahydro-1,4a-dimethyl-, (1.alpha.,4a.beta.,8a.alpha.)-
    • SCHEMBL13517469
    • NSC127550
    • 2(1H)-Naphthalenone,4a-dimethyl-, (1.alpha.,4a.beta.,8a.alpha.)-
    • DTXSID30945410
    • AKOS024325250
    • Inchi： 1S/C12H20O/c1-9-10-5-3-4-7-12(10,2)8-6-11(9)13/h9-10H,3-8H2,1-2H3
    • InChI Key： QRVYMYQHRABGQW-UHFFFAOYSA-N
    • SMILES： O=C1CCC2(C)CCCCC2C1C

Computed Properties

  • Exact Mass: 180.1515
  • Monoisotopic Mass: 180.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

2(1H)-Naphthalenone,octahydro-1,4a-dimethyl-, (1R,4aR,8aR)-rel- Related Literature

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