2-[(1E)-3-cyclopentylprop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 140733
• 分子式: C14H25BO2
• 平均质量: 236.1581
• 单一同位素质量: 236.19476044
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C/CC1CCCC1
• InChI: InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-7-10-12-8-5-6-9-12/h7,11-12H,5-6,8-10H2,1-4H3/b11-7+
• InChIKey: GXNIAKZVBGUMHU-YRNVUSSQSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1E)-3-cyclopentylprop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[(1E)-3-cyclopentylprop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 反式-2-(3-环戊基丙烯-1-基)-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷; 反式-3-环戊基-1-丙烯基硼酸频哪醇酯; 2-[(1E)-3-Cyclopentyl-1-propen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; trans-2-(3-Cyclopentylpropen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; trans-3-(Cyclopentyl)-1-propenylboronic acid pinacol ester

登记号

• CAS号: 1073354-57-0
• MDL号: MFCD08276877
• PubChem SID: 162234973; 24884879
• PubChem CID: 16218195

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.5822
• LogD (pH = 7.4): 4.5822
• Log P: 4.5822
• 摩尔折射率: 66.545 cm^3
• 极化性: 28.199532 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 90-93 °C/0.4 mmHg
• 闪点: 230 °F
• 密度: 0.927 g/mL at 25 °C
• 折射率: n20/D 1.456

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C14H25BO2

详细说明

Sigma Aldrich - 667013

包装
1 g in glass bottle