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Name |
Magnesium (2-methylpentyl)-oxide |
EINECS | N/A |
CAS No. | 96826-95-8 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H26MgO2 | Boiling Point | N/A |
Molecular Weight | 226.63864 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Magnesium (2-methylpentyl)-oxide; |
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