[8-[2-(4-Methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
[8-[2-(4-Methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate · CAS 864357-88-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [8-[2-(4-Methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
- CAS
- 864357-88-0
- CID
- 70884156
- IUPAC 名称
- [8-[2-(4-methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [8-[2-(4-Methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
- CAS
- 864357-88-0
- CID
- 70884156
- IUPAC 名称
- [8-[2-(4-methoxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
分子属性
- 分子式
- C26H40O5
- 分子量
- 432.6 g/mol
- 精确质量
- 432.28757437 Da
- 单同位素质量
- 432.28757437 Da
- XLogP
- 5.2
- 极性表面积
- 61.8 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 721
结构标识
- InChIKey
- OLSYISKGDWQZSZ-UHFFFAOYSA-N
- SMILES
- CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OC)C
- InChI
- InChI=1S/C26H40O5/c1-7-26(4,5)25(28)31-22-13-16(2)12-18-9-8-17(3)21(24(18)22)11-10-19-14-20(29-6)15-23(27)30-19/h8-9,12,16-17,19-22,24H,7,10-11,13-15H2,1-6H3