(3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol · CAS 36149-00-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
- CAS
- 36149-00-5
- CID
- 6368826
- IUPAC 名称
- (3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
- CAS
- 36149-00-5
- CID
- 6368826
- IUPAC 名称
- (3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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
- 6.2
- 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
- 655
结构标识
- InChIKey
- JWUBBDSIWDLEOM-ZCJKAFFOSA-N
- SMILES
- CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C/C=C/3\CC(CCC3=C)O)C
- InChI
- InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+