CAS 158009-08-6 Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate (HCID 23144129)

基本情報

CAS: 158009-08-6
標準SMILES: CCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIKey: VFEJEBVELPDVHI-UHFFFAOYSA-N
分子式: C15H30O3Si
平均分子量: 286.48 g/mol
単同位体質量: 286.19642135

名称と識別子

優先名称: Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
IUPAC: ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
現地名: 4-((TERT-ブチルジメチルシリル)オキシ)シクロヘキサンカルボン酸エチル
英語名: Cyclohexanecarboxylic acid, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]-, ethyl ester
分子式: C15H30O3Si
分子量: 286.48

名称と別名

676560-15-9Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate158009-08-6cis-Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylateMFCD24038913158009-09-7ethyl (1s,4s)-4-[(tert-butyldimethylsilyl)oxy]cyclohexane-1-carboxylateethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylateC15H30O3Siethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carboxylateEthyl4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylateETHYL 4-[(TERT-BUTYLDIMETHYLSILYL)OXY]CYCLOHEXANE-1-CARBOXYLATE

名称をさらに表示

4-((TERT-ブチルジメチルシリル)オキシ)シクロヘキサンカルボン酸エチルCyclohexanecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl es…4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-Cyclohexanecarboxylic acid ethyl ester (9CI ACI)Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester (9CI, ACI)

Cyclohexanecarboxylic acid, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]-, ethyl esterEthyl 4-[(tert-Butyldimethylsilyl)oxy]cyclohexanecarboxylateEthyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylateTrans-ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylateCyclohexanecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, trans-MFCD28403702ethyl (1s,4s)-4-(1S,4S)-ETHYL 4-((TERT-BUTYLDIMETHYLSILYL)OXY)CYCLOHEXANECARBOXYLATE

物性

構造計算による物性

極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 19
形式電荷: 0
複雑度: 299

物理化学的性質

貯蔵温度: 2 · 2-8°C
InChI: InChI=1S/C15H30O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3
InChIKey: VFEJEBVELPDVHI-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)CCC(O[Si](C(C)(C)C)(C)C)CC1