| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| D154588-1ml |
1ml |
现货  |
| |
| D154588-5ml |
5ml |
现货 |
|
| 英文别名 | Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- | SCHEMBL6438979 | BS-52287 | D4385 | NSC22256 | NSC-22256 | DTXSID70281627 | 2,6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE | 2,6-ditert-butyl-4-methylcyclohexan-1-one | MFCD27976821 | T70616 | 2,6-di-tert-b |
|---|---|
| 规格或纯度 | ≥95%(GC) |
| 英文名称 | 2,6-Di-tert-butyl-4-methylcyclohexanone (mixture of isomers) |
| 运输条件 | 常规运输 |
| 纯度 | ≥95%(GC) |
| PubChem SID | 488188795 |
|---|---|
| IIUPAC Name | 2,6-ditert-butyl-4-methylcyclohexan-1-one |
| INCHI | 1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-12H,8-9H2,1-7H3 |
| InChi Key | LDPDMUPXRDWOPE-UHFFFAOYSA-N |
| Smiles | CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C |
| Isomeric SMILES | CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C |
| 分子量 | 224.39 |
| Reaxy-Rn | 3248525 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3248525&ln= |
| 密度 | 0.887 |
|---|---|
| 折光率 | 1.46 |
| 闪点(℃) | 119 °C |
| 沸点 | 134°C/20mmHg(lit.) |
| 分子量 | 224.380 g/mol |
| XLogP3 | 4.700 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 1 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 224.214 Da |
| 单同位素质量Monoisotopic Mass | 224.214 Da |
| 拓扑极表面积Topological Polar Surface Area | 17.100 Ų |
| 重原子数Heavy Atom Count | 16 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 238.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 2 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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