Chem
J-GLOBAL ID：200907036515191474
Nikkaji number：J2.057.038E
2β,5,5-Trimethylcyclohexanone
2β,5,5-トリメチルシクロヘキサノン
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： C9H16O
Molecular formula furigana： C9-H16-O
Molecular weight： 140.226
InChI：
InChI=1S/C9H16O/c1-7-4-5-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI key：
OITMBHSFQBJCFN-ZETCQYMHSA-N
SMILES：
C[C@H]1CCC(C)(C)CC1=O
Systematic name (3)：
- 2β,5,5-トリメチルシクロヘキサノン
- (2S)-2,5,5-トリメチルシクロヘキサン-1-オン
- (2S)-2,5,5-trimethylcyclohexan-1-one
- 2β,5,5-Trimethylcyclohexanone
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