Chem
J-GLOBAL ID：200907053897813102   Nikkaji number：J2.153.979A

2-(3,3-Dimethylbutyryl)hexanoic acid methyl ester

2-(3,3-ジメチルブチリル)ヘキサン酸メチル
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： C13H24O3
Molecular formula furigana： C13-H24-O3
Molecular weight： 228.332
InChI： InChI=1S/C13H24O3/c1-6-7-8-10(12(15)16-5)11(14)9-13(2,3)4/h10H,6-9H2,1-5H3
InChI key： MYURFOCAPZSELM-UHFFFAOYSA-N
SMILES： CCCCC(C(=O)CC(C)(C)C)C(=O)OC
Systematic name  (4)：
  • 2-(3,3-ジメチルブチリル)ヘキサン酸メチル
  • 2-(3,3-ジメチルブタノイル)ヘキサン酸メチル
  • メチル 2-ブチル-5,5-ジメチル-3-オキソヘキサノアート
  • methyl 2-butyl-5,5-dimethyl-3-oxohexanoate
Other name (2)：
  • 2-(3,3-Dimethylbutyryl)hexanoic acid methyl ester
  • 2-(3,3-Dimethylbutanoyl)hexanoic acid methyl ester
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