HCID22728383

t-Butyl 6-hydroxy-6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-hexanoate

tert-butyl 6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-6-hydroxyhexanoate

C18H28O5324.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC(=O)C(=C(O)CCCCC(=O)OC(C)(C)C)C(=O)C1
InChIKey: XDJPBOYUUXJIKM-UHFFFAOYSA-N
分子式: C18H28O5
平均分子量: 324.4 g/mol
单同位素质量: 324.19367399

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 80.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 23
形式电荷: 0
复杂度: 498

ALIASES

名称与别名

共 4 条

SCHEMBL6763761XDJPBOYUUXJIKM-UHFFFAOYSA-Nt-Butyl 6-hydroxy-6-(4,4-dimethyl-2,6-dioxocyclo-hexylidene)-hexanoatet-Butyl 6-hydroxy-6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-hexanoate

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06573337B1

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uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06723843B2

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