(1R,2S,6S,8S)-2,9,9-trimethyl-4-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane

• ChemBase编号: 74830
• 分子式: C20H32B2O4
• 平均质量: 358.08768
• 单一同位素质量: 358.2486703
• SMILES: O1B(B2O[C@@H]3[C@@](O2)([C@H]2C([C@@H](C2)C3)(C)C)C)O[C@@]2([C@H]1C[C@H]1C[C@@H]2C1(C)C)C
• Canonical SMILES: C[C@@]12OB(O[C@@H]1C[C@H]1C[C@@H]2C1(C)C)B1O[C@@H]2[C@](O1)(C)[C@@H]1C[C@@H](C2)C1(C)C
• InChI: InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12+,13-,14-,15-,16+,19+,20+/m1/s1
• InChIKey: VNEZFUGEQURPEN-DUKGFYTGSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2S,6S,8S)-2,9,9-trimethyl-4-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane
• IUPAC传统名: (1R,2S,6S,8S)-2,9,9-trimethyl-4-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane
• 别名: Bis[(+)-pinanediolato]diboron

登记号

• CAS号: 230299-05-5
• MDL号: MFCD02683577
• PubChem SID: 162039748
• PubChem CID: 71299269

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.4798
• LogD (pH = 7.4): 6.4798
• Log P: 6.4798
• 摩尔折射率: 88.9742 cm^3
• 极化性: 39.93023 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false