3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate

C20H42O10Si3 — CID 59943363

About 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate

3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 59943363) has the molecular formula C20H42O10Si3 and a molecular weight of 526.80 g/mol. Its IUPAC name is 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 59943363
• Molecular Formula: C20H42O10Si3
• Molecular Weight: 526.80 g/mol
• Exact Mass: 526.21
• IUPAC Name: 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)COOCCC[Si](OC)(OC)O[Si](C)(C)O[Si](CCCOC(=O)C(=C)C)(OC)OC
• InChI: InChI=1S/C20H42O10Si3/c1-18(2)17-28-27-14-12-16-33(24-7,25-8)30-31(9,10)29-32(22-5,23-6)15-11-13-26-20(21)19(3)4/h1,3,11-17H2,2,4-10H3
• InChIKey: JQVOCTUUWPXLQA-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.80
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate (CID 59943363) is 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate is C=C(C)COOCCC[Si](OC)(OC)O[Si](C)(C)O[Si](CCCOC(=O)C(=C)C)(OC)OC.

What is the InChIKey of 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate?

The InChIKey is JQVOCTUUWPXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O10Si3/c1-18(2)17-28-27-14-12-16-33(24-7,25-8)30-31(9,10)29-32(22-5,23-6)15-11-13-26-20(21)19(3)4/h1,3,11-17H2,2,4-10H3.

What are the key properties of 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate?

3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 526.80 g/mol, XLogP of 3.61, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[dimethoxy-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 59943363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).