Chem
J-GLOBAL ID：200907000629531912
Nikkaji number：J1.582.964H
2,2,4-Trimethyl-6-heptyne-3-one
2,2,4-トリメチル-6-ヘプチン-3-オン
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： C10H16O
Molecular formula furigana： C10-H16-O
Molecular weight： 152.237
InChI：
InChI=1S/C10H16O/c1-6-7-8(2)9(11)10(3,4)5/h1,8H,7H2,2-5H3
InChI key：
JVXXHSJIOXLIEC-UHFFFAOYSA-N
SMILES：
CC(CC#C)C(=O)C(C)(C)C
Systematic name (3)：
- 2,2,4-トリメチル-6-ヘプチン-3-オン
- 2,2,4-トリメチルヘプタ-6-イン-3-オン
- 2,2,4-trimethylhept-6-yn-3-one
- 2,2,4-Trimethyl-6-heptyne-3-one
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