Cas no 108944-67-8 (Neocurdione)

Neocurdione structure
Neocurdione structure
Product Name:Neocurdione
CAS No:108944-67-8
MF:C15H24O2
MW:236.3499
CID:134997
PubChem ID:10466651
Update Time:2024-11-03

Neocurdione Chemical and Physical Properties

Names and Identifiers

    • 6-Cyclodecene-1,4-dione,6,10-dimethyl-3-(1-methylethyl)-, (3R,6E,10S)-
    • Neocurdione
    • (-)-Neocurdione
    • (3R,6E,10S)-6,10Α-Dimethyl-3-Isopropyl-6-Cyclodecene-1,4-Dione
    • 6-Cyclodecene-1,4-dione,6,10-dimethyl-3-(1-methylethyl)-, [3R-(3R*,6E,10S*)]-
    • (3R,6E,10S)-6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione
    • 13657-68-6
    • (3R,6E,10S)-6,10-dimethyl-3-(propan-2-yl)cyclodec-6-ene-1,4-dione
    • AKOS030573581
    • CS-0032518
    • Q-100139
    • (+)-Curdione
    • (3R,6E,10S)-6,10-Dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
    • Curdione
    • DTXSID301318277
    • HY-N4243
    • (+)-Germacr-1(10)-ene-5,8-dione
    • (3R,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
    • DA-76083
    • (3R,6E,10S)-6,10alpha-Dimethyl-3-isopropyl-6-cyclodecene-1,4-dione
    • 108944-67-8
    • MDL: MFCD01725514
    • Inchi: 1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-/t12-,13+/m0/s1
    • InChI Key: KDPFMRXIVDLQKX-BLJGWETHSA-N
    • SMILES: O=C1[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([C@]([H])(C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])=O |t:15|

Computed Properties

  • Exact Mass: 236.17772
  • Monoisotopic Mass: 236.177630004 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.1
  • Molecular Weight: 236.35
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: Powder
  • Density: 0.931±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 347.6±42.0 oC (760 Torr),
  • Flash Point: 130.4±24.9 oC,
  • Solubility: Very slightly soluble (0.59 g/l) (25 o C),
  • PSA: 34.14

Neocurdione Security Information

  • Hazardous Material Identification: A poison by ingestion.
  • Safety Term:A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Neocurdione Pricemore >>

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