1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carbaldehyde

• ChemBase编号: 169433
• 分子式: C13H26O2Si
• 平均质量: 242.42984
• 单一同位素质量: 242.1702066
• SMILES: C1(CC1)(O[Si](C(C)C)(C(C)C)C(C)C)C=O
• Canonical SMILES: O=CC1(CC1)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C13H26O2Si/c1-10(2)16(11(3)4,12(5)6)15-13(9-14)7-8-13/h9-12H,7-8H2,1-6H3
• InChIKey: KXIGCGAYUCTEDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{[tris(propan-2-yl)silyl]oxy}cyclopropane-1-carbaldehyde
• IUPAC传统名: 1-[(triisopropylsilyl)oxy]cyclopropane-1-carbaldehyde
• 别名: 1-[[Tris(1-methylethyl)silyl]oxy]cyclopropanecarboxaldehyde; 1-(Triisopropylsilyloxy)cyclopropylformaldehyde; 1-Formyl-1-(triisopropylsilyloxy)cyclopropane

登记号

• CAS号: 220705-67-9
• PubChem SID: 162263565
• PubChem CID: 15480706

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1363
• LogD (pH = 7.4): 3.1363
• Log P: 3.1363
• 摩尔折射率: 64.1328 cm^3
• 极化性: 27.639887 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane
• 外观: Colourless Oil