Chem
J-GLOBAL ID：200907013036631281
Nikkaji number：J1.968.450D
(2E)-5-Methyl-2,5-hexadienoic acid butyl ester
(2E)-5-メチル-2,5-ヘキサジエン酸ブチル
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
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
Molecular formula： C11H18O2
Molecular formula furigana： C11-H18-O2
Molecular weight： 182.263
InChI：
InChI=1S/C11H18O2/c1-4-5-9-13-11(12)8-6-7-10(2)3/h6,8H,2,4-5,7,9H2,1,3H3/b8-6+
InChI key：
KVNOTABQGRUGPX-SOFGYWHQSA-N
SMILES：
CCCCOC(=O)/C=C/CC(=C)C
Systematic name (3)：
- (2E)-5-メチル-2,5-ヘキサジエン酸ブチル
- ブチル (2E)-5-メチルヘキサ-2,5-ジエノアート
- butyl (2E)-5-methylhexa-2,5-dienoate
- (2E)-5-Methyl-2,5-hexadienoic acid butyl ester
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