magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)

C32H52MgO20P2 — CID 122612579

About magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)

magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate) (PubChem CID 122612579) has the molecular formula C32H52MgO20P2 and a molecular weight of 843.00 g/mol. Its IUPAC name is magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate).

Molecular Properties

• Compound Name: magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
• PubChem CID: 122612579
• Molecular Formula: C32H52MgO20P2
• Molecular Weight: 843.00 g/mol
• Exact Mass: 842.24
• IUPAC Name: magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
• SMILES: C=C(C)C(=O)OCCOCCOP(=O)([O-])OCCOCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOCCOP(=O)([O-])OCCOCCOC(=O)C(=C)C.[Mg+2]
• InChI: InChI=1S/2C16H27O10P.Mg/c2*1-13(2)15(17)23-9-5-21-7-11-25-27(19,20)26-12-8-22-6-10-24-16(18)14(3)4;/h2*1,3,5-12H2,2,4H3,(H,19,20);/q;;+2/p-2
• InChIKey: WUAQBLPETLHOET-UHFFFAOYSA-L
• XLogP: 1.14
• TPSA: 259.30 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.00
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)?

The IUPAC name of magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate) (CID 122612579) is magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate).

What is the SMILES notation for magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)?

The canonical SMILES for magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate) is C=C(C)C(=O)OCCOCCOP(=O)([O-])OCCOCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOCCOP(=O)([O-])OCCOCCOC(=O)C(=C)C.[Mg+2].

What is the InChIKey of magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)?

The InChIKey is WUAQBLPETLHOET-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H27O10P.Mg/c2*1-13(2)15(17)23-9-5-21-7-11-25-27(19,20)26-12-8-22-6-10-24-16(18)14(3)4;/h2*1,3,5-12H2,2,4H3,(H,19,20);/q;;+2/p-2.

What are the key properties of magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)?

magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate) has a molecular weight of 843.00 g/mol, XLogP of 1.14, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate) is sourced from PubChem (CID 122612579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).