Chem
J-GLOBAL ID：200907040738796448   Nikkaji number：J1.473.148B

3-Oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)valeric acid methyl ester

3-オキソ-5-(2,6,6-トリメチル-1-シクロヘキセニル)吉草酸メチル
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： C15H24O3
Molecular formula furigana： C15-H24-O3
Molecular weight： 252.354
InChI： InChI=1S/C15H24O3/c1-11-6-5-9-15(2,3)13(11)8-7-12(16)10-14(17)18-4/h5-10H2,1-4H3
InChI key： KRNBNHOWLRAFLJ-UHFFFAOYSA-N
SMILES： COC(=O)CC(=O)CCC1=C(C)CCCC1(C)C
Systematic name  (4)：
  • 3-オキソ-5-(2,6,6-トリメチル-1-シクロヘキセニル)吉草酸メチル
  • 3-オキソ-5-(2,6,6-トリメチル-1-シクロヘキセニル)ペンタン酸メチル
  • メチル 3-オキソ-5-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ペンタノアート
  • methyl 3-oxo-5-(2,6,6-trimethylcyclohex-1-en-1-yl)pentanoate
Other name (2)：
  • 3-Oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)valeric acid methyl ester
  • 3-Oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)pentanoic acid methyl ester
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