Chem
J-GLOBAL ID：200907031238598888
Nikkaji number：J1.490.051I
(1S)-1-(3-Butynyl)-1-methyl-2-ethylidenecyclohexane
(1S)-1-(3-ブチニル)-1-メチル-2-エチリデンシクロヘキサン
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： C13H20
Molecular formula furigana： C13-H20
Molecular weight： 176.303
InChI：
InChI=1S/C13H20/c1-4-6-10-13(3)11-8-7-9-12(13)5-2/h1,5H,6-11H2,2-3H3/t13-/m1/s1
InChI key：
PBDLSAULIFAMKK-CYBMUJFWSA-N
SMILES：
CC=C1CCCC[C@@]1(C)CCC#C
Systematic name (3)：
- (1S)-1-(3-ブチニル)-1-メチル-2-エチリデンシクロヘキサン
- (1S)-1-(ブタ-3-イン-1-イル)-2-エチリデン-1-メチルシクロヘキサン
- (1S)-1-(but-3-yn-1-yl)-2-ethylidene-1-methylcyclohexane
- (1S)-1-(3-Butynyl)-1-methyl-2-ethylidenecyclohexane
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