tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate structure

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate

概要:tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate(CAS 114948-31-1)是一种化学化合物,分子式为C21H36O2Si,分子量为348.25 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。

[tert-butyl(dimethyl)silyl] (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylate

又称:tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate, tert-butyl(dimethyl)silyl(1r)-4-methyl-1-[(1r)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylate, [tert-butyl(dimethyl)silyl] (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 4-methyl-1-(1-methyl-2-methylenecyclopentyl)-, (1,1-dimethylethyl)dimethylsilyl ester, (R*,R*)-, tert-Butyldi(methyl)silyl (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylate

CAS: 114948-31-1
分子式 C21H36O2Si
分子量 348.25 g/mol
LogP 6.3978
拓扑极性表面积 26.3 Ų
氢键供体数 0
氢键受体数 2
可旋转键数 5
精确质量 348.24844
重原子数 24
复杂度 567.0

化学标识符

CAS 编号 114948-31-1
SMILES CC1=CC[C@@](CC1)(C(=O)O[Si](C)(C)C(C)(C)C)[C@@]2(CCCC2=C)C
InChIKey KHKKWSXEBLFONZ-NHCUHLMSSA-N

产品概述

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate(CAS 114948-31-1),分子式为C21H36O2Si,分子量为348.25 g/mol。IUPAC名:[tert-butyl(dimethyl)silyl] (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylate

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安全数据表(MSDS / SDS) 在PubChem上查看实验室化学品安全摘要(LCSS)——包含GHS分类、危险说明、急救措施和操作注意事项。
查看MSDS →

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate化学性质概览

XLogP(分配系数)
6.3978
TPSA(拓扑极性表面积)
26.3
氢键供体数
0
氢键受体数
2
可旋转键数
5
重原子数
24
复杂度
567.0
精确质量
348.24844
单同位素质量
348.24844
数据来源: 化学性质数据引用自 PubChem,由美国国家医学图书馆(NLM)下属的国家生物技术信息中心(NCBI)维护的全球最大开放化学数据库。

属性洞察:tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的XLogP值为6.3978,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的拓扑极性表面积(TPSA)为26.3 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate有0个氢键供体和2个氢键受体,可能需要考虑配方优化。

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常见问题

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的CAS号是多少?

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的CAS号为114948-31-1。

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的分子式是什么?

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的分子式为C21H36O2Si。

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的分子量是多少?

tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate的分子量为348.25 g/mol。

在哪里可以购买tert-Butyl(dimethyl)silyl 4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-ene-1-carboxylate?

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