Chem
J-GLOBAL ID：200907009075099271
Nikkaji number：J2.212.171E
3-(2-Cyclohexenyl)-3-propargyl-1,3-propanediol
3-(2-シクロヘキセニル)-3-プロパルギル-1,3-プロパンジオール
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI：
InChI=1S/C12H18O2/c1-2-8-12(14,9-10-13)11-6-4-3-5-7-11/h1,4,6,11,13-14H,3,5,7-10H2
InChI key：
HGFCWHVKASAHDZ-UHFFFAOYSA-N
SMILES：
OCCC(O)(CC#C)C1CCCC=C1
Systematic name (3)：
- 3-(2-シクロヘキセニル)-3-プロパルギル-1,3-プロパンジオール
- 3-(シクロヘキサ-2-エン-1-イル)ヘキサ-5-イン-1,3-ジオール
- 3-(cyclohex-2-en-1-yl)hex-5-yne-1,3-diol
- 3-(2-Cyclohexenyl)-3-propargyl-1,3-propanediol
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