Chem
J-GLOBAL ID：200907001656157751
Nikkaji number：J1.624.995E
(1β,4β)-5β-Ethynylbicyclo[2.1.1]hexane-2α-ol
(1β,4β)-5β-エチニルビシクロ[2.1.1]ヘキサン-2α-オール
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： C8H10O
Molecular formula furigana： C8-H10-O
Molecular weight： 122.167
InChI：
InChI=1S/C8H10O/c1-2-6-5-3-7(6)8(9)4-5/h1,5-9H,3-4H2/t5-,6-,7-,8-/m1/s1
InChI key：
ACFWWWNODFTSRV-WCTZXXKLSA-N
SMILES：
O[C@@H]1C[C@H]2C[C@@H]1[C@@H]2C#C
Systematic name (3)：
- (1β,4β)-5β-エチニルビシクロ[2.1.1]ヘキサン-2α-オール
- (1R,2R,4R,5R)-5-エチニルビシクロ[2.1.1]ヘキサン-2-オール
- (1R,2R,4R,5R)-5-ethynylbicyclo[2.1.1]hexan-2-ol
- (1β,4β)-5β-Ethynylbicyclo[2.1.1]hexane-2α-ol
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