HCID18415063

(+/-) 6-(2-Methyl-1,3-dioxolan-2-yl)-1,2,3,4-tetrahydro-4,4-dimethyl-1-hydroxy-1-(carboethoxymethyl)-naphthalene

ethyl 2-[1-hydroxy-4,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-2,3-dihydronaphthalen-1-yl]acetate

C20H28O5348.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC1(O)CCC(C)(C)c2cc(C3(C)OCCO3)ccc21
InChIKey: QYGJOYSUMIECAK-UHFFFAOYSA-N
分子式: C20H28O5
平均分子量: 348.4 g/mol
单同位素质量: 348.19367399

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 65 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 496

ALIASES

名称与别名

共 5 条

SCHEMBL6366888QYGJOYSUMIECAK-UHFFFAOYSA-N(+/-) 6-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4-tetrahydro-4,4-dimethyl-1-hydroxy-1-(carboethoxymethyl)-naphthalene(+/-) 6-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4-tetrahydro-4,4-dimethyl-1-hydroxy-1-(carboethoxymethyl)-naphthlene(+/-)6-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4-tetrahydro-4,4-dimethyl-1-hydroxy-1-(carboethoxymethyl)-naphthlene

REACTIONS