(1r,3r,5r,7r)-spiro[adamantane-2,2'-oxirane]

• ChemBase编号: 143881
• 分子式: C11H16O
• 平均质量: 164.24414
• 单一同位素质量: 164.12011513
• SMILES: C1[C@H]2C[C@@H]3C4(OC4)[C@H](C2)C[C@H]1C3
• Canonical SMILES: C1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C13CO1
• InChI: InChI=1S/C11H16O/c1-7-2-9-4-8(1)5-10(3-7)11(9)6-12-11/h7-10H,1-6H2/t7-,8+,9-,10+,11?
• InChIKey: SVBWHNKBVYUWDJ-XICIVTQQSA-N

名称和登记号

名称

• IUPAC标准名: (1r,3r,5r,7r)-spiro[adamantane-2,2'-oxirane]
• IUPAC传统名: (1r,3r,5r,7r)-spiro[adamantane-2,2'-oxirane]
• 别名: Spiro[oxirane-2,2′-tricyclo[3.3.1.1(3,7)]decane]

登记号

• CAS号: 24759-97-5
• MDL号: MFCD02683842
• PubChem SID: 162238098
• PubChem CID: 303804

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0525959
• LogD (pH = 7.4): 2.0525959
• Log P: 2.0525959
• 摩尔折射率: 46.3833 cm^3
• 极化性: 18.765347 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H16O

详细说明

Sigma Aldrich - CBR00518

Other Notes
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