5-[2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
5-[2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol · CAS 63181-13-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-[2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
- CAS
- 63181-13-5
- CID
- 2091
- IUPAC 名称
- 5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-[2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
- CAS
- 63181-13-5
- CID
- 2091
- IUPAC 名称
- 5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
分子属性
- 分子式
- C27H44O2
- 分子量
- 400.6 g/mol
- 精确质量
- 400.334130642 Da
- 单同位素质量
- 400.334130642 Da
- XLogP
- 6.8
- 极性表面积
- 40.5 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 6
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 643
结构标识
- InChIKey
- OFHCOWSQAMBJIW-UHFFFAOYSA-N
- SMILES
- CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
- InChI
- InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3