Chem
J-GLOBAL ID：200907066123958862
Nikkaji number：J1.278.996C
(2S,3S,4R)-2,4-Dimethyl-5-hexyne-1,3-diol
(2S,3S,4R)-2,4-ジメチル-5-ヘキシン-1,3-ジオール
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： C8H14O2
Molecular formula furigana： C8-H14-O2
Molecular weight： 142.198
InChI：
InChI=1S/C8H14O2/c1-4-6(2)8(10)7(3)5-9/h1,6-10H,5H2,2-3H3/t6-,7+,8+/m1/s1
InChI key：
AXVKYSWRRXBHTP-CSMHCCOUSA-N
SMILES：
C[C@@H](CO)[C@@H](O)[C@H](C)C#C
Systematic name (3)：
- (2S,3S,4R)-2,4-ジメチル-5-ヘキシン-1,3-ジオール
- (2S,3S,4R)-2,4-ジメチルヘキサ-5-イン-1,3-ジオール
- (2S,3S,4R)-2,4-dimethylhex-5-yne-1,3-diol
- (2S,3S,4R)-2,4-Dimethyl-5-hexyne-1,3-diol
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