红色基KL
Cypress oil · CAS 12216-86-3
- 中文名
- 红色基KL
- 中文别名
- 暂无
- 英文名
- Cypress oil
- CAS
- 12216-86-3
- CID
- 168010188
- IUPAC 名称
- cyclooct-2-en-1-yl N-[2-[[5-(2,2-dimethylpropyl)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]carbamate;cyclooct-2-en-1-yl N-[5-(2,2-dimethylpropyl)-7,7-dimethyl-6-oxooctyl]carbamate;cyclooct-2-en-1-yl [2-(2,2-dimethylpropyl)-4,4-dimethyl-3-oxopentyl]sulfanylformate
名称与编号
- 中文名
- 红色基KL
- 中文别名
- 暂无
- 英文名
- Cypress oil
- CAS
- 12216-86-3
- CID
- 168010188
- IUPAC 名称
- cyclooct-2-en-1-yl N-[2-[[5-(2,2-dimethylpropyl)-7,7-dimethyl-6-oxooctyl]amino]-2-oxoethoxy]carbamate;cyclooct-2-en-1-yl N-[5-(2,2-dimethylpropyl)-7,7-dimethyl-6-oxooctyl]carbamate;cyclooct-2-en-1-yl [2-(2,2-dimethylpropyl)-4,4-dimethyl-3-oxopentyl]sulfanylformate
分子属性
- 分子式
- C71H125N3O11S
- 分子量
- 1228.8 g/mol
- 精确质量
- 1227.90348299 Da
- 单同位素质量
- 1227.90348299 Da
- XLogP
- 暂无
- 极性表面积
- 218 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 34
- 重原子数
- 86
- 净电荷
- 0
- 结构复杂度
- 1630
结构标识
- InChIKey
- XQPBJDKMKWOESI-UHFFFAOYSA-N
- SMILES
- CC(C)(C)CC(CCCCNC(=O)CONC(=O)OC1CCCCCC=C1)C(=O)C(C)(C)C.CC(C)(C)CC(CCCCNC(=O)OC1CCCCCC=C1)C(=O)C(C)(C)C.CC(C)(C)CC(CSC(=O)OC1CCCCCC=C1)C(=O)C(C)(C)C
- InChI
- InChI=1S/C26H46N2O5.C24H43NO3.C21H36O3S/c1-25(2,3)18-20(23(30)26(4,5)6)14-12-13-17-27-22(29)19-32-28-24(31)33-21-15-10-8-7-9-11-16-21;1-23(2,3)18-19(21(26)24(4,5)6)14-12-13-17-25-22(27)28-20-15-10-8-7-9-11-16-20;1-20(2,3)14-16(18(22)21(4,5)6)15-25-19(23)24-17-12-10-8-7-9-11-13-17/h10,15,20-21H,7-9,11-14,16-19H2,1-6H3,(H,27,29)(H,28,31);10,15,19-20H,7-9,11-14,16-18H2,1-6H3,(H,25,27);10,12,16-17H,7-9,11,13-15H2,1-6H3