HCID22730331

Methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoate

C16H18O4274.31 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1
InChIKey: JYPLUIVHKYNDEZ-UHFFFAOYSA-N
分子式: C16H18O4
平均分子量: 274.31 g/mol
单同位素质量: 274.12050905

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 44.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 387

ALIASES

名称与别名

共 6 条

Methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzoatemethyl 4-(1,4-dioxaspiro(4.5)dec-7-en-8-yl)benzoate176208-16-5SCHEMBL2945528JYPLUIVHKYNDEZ-UHFFFAOYSA-NDA-09225

REACTIONS

参与反应

7 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659294B2

查看

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659294B2

查看

uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07504512B2

查看

uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06720338B2

查看

uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07754886B2

查看