Chem
J-GLOBAL ID:200907049731628270   Nikkaji number:J1.097.917J

(1S,3R)-1,3-(2-Methylene-1,3-propanediyl)-2-oxocyclohexanecarboxylic acid methyl ester

メチル (1S,5R)-3-メチリデン-9-オキソビシクロ[3.3.1]ノナン-1-カルボキシラート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H16O3
Molecular formula furigana: C12-H16-O3
Molecular weight: 208.257
InChI: InChI=1S/C12H16O3/c1-8-6-9-4-3-5-12(7-8,10(9)13)11(14)15-2/h9H,1,3-7H2,2H3/t9-,12+/m1/s1
InChI key: BBBBKUFUFIMMHA-SKDRFNHKSA-N
SMILES: COC(=O)[C@@]12CCC[C@H](CC(=C)C1)C2=O
Systematic name  (3):
  • (1S,3R)-1,3-(2-メチレン-1,3-プロパンジイル)-2-オキソシクロヘキサンカルボン酸メチル
  • メチル (1S,5R)-3-メチリデン-9-オキソビシクロ[3.3.1]ノナン-1-カルボキシラート
  • methyl (1S,5R)-3-methylidene-9-oxobicyclo[3.3.1]nonane-1-carboxylate
Other name (1):
  • (1S,3R)-1,3-(2-Methylene-1,3-propanediyl)-2-oxocyclohexanecarboxylic acid methyl ester
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