HCID24771817

3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate

3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

C20H27O2-299.4 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: CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)[O-]
InChIKey: SHGAZHPCJJPHSC-UHFFFAOYSA-M
分子式: C20H27O2-
平均分子量: 299.4 g/mol
单同位素质量: 299.2011051

COMPUTED

结构计算性质

已同步

XLogP: 6.9
极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 22
形式电荷: -1
复杂度: 561

ALIASES

名称与别名

共 6 条

3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoatea retinoatea retinoic acidCHEBI:15036Q271090183,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

REACTIONS