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| CAS No.: | 96826-95-8 |
|---|---|
| Name: | Magnesium (2-methylpentyl)-oxide |
| Molecular Structure: | |
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| Formula: | C12H26MgO2 |
| Molecular Weight: | 226.63864 |
| Synonyms: | Magnesium (2-methylpentyl)-oxide; |
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Specification
The IUPAC name of Magnesium (2-methylpentyl)-oxide is magnesium 2-methylpentan-1-olate. With the CAS registry number 96826-95-8, it is also named as 1-Pentanol, 2-methyl-, magnesium salt (2:1). The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, its molecular formula is C12H26MgO2 and molecular weight is 226.63864.
The other characteristics of Magnesium (2-methylpentyl)-oxide can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 6; (4)Exact Mass: 226.178322; (5)MonoIsotopic Mass: 226.178322; (6)Topological Polar Surface Area: 46.1; (7)Heavy Atom Count: 15; (8)Complexity: 35.2.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCC(C)C[O-].CCCC(C)C[O-].[Mg+2]
(2)InChI: InChI=1S/2C6H13O.Mg/c2*1-3-4-6(2)5-7;/h2*6H,3-5H2,1-2H3;/q2*-1;+2
(3)InChIKey: SQGOXAQJVLQRQL-UHFFFAOYSA-N