Chem
J-GLOBAL ID：200907066648956100
Nikkaji number：J1.487.311B
(S)-4-(3,3-Dimethyl-5-oxo-1-cyclopentenyl)pentanal
(S)-4-(3,3-ジメチル-5-オキソ-1-シクロペンテニル)ペンタナール
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI：
InChI=1S/C12H18O2/c1-9(5-4-6-13)10-7-12(2,3)8-11(10)14/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1
InChI key：
UPDLAJOAGRVGGB-VIFPVBQESA-N
SMILES：
C[C@@H](CCC=O)C1=CC(C)(C)CC1=O
Systematic name (3)：
- (S)-4-(3,3-ジメチル-5-オキソ-1-シクロペンテニル)ペンタナール
- (4S)-4-(3,3-ジメチル-5-オキソシクロペンタ-1-エン-1-イル)ペンタナール
- (4S)-4-(3,3-dimethyl-5-oxocyclopent-1-en-1-yl)pentanal
- (S)-4-(3,3-Dimethyl-5-oxo-1-cyclopentenyl)pentanal
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