3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate

C46H122O14Si16 — CID 88568225

About 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate

3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate (PubChem CID 88568225) has the molecular formula C46H122O14Si16 and a molecular weight of 1348.84 g/mol. Its IUPAC name is 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
• PubChem CID: 88568225
• Molecular Formula: C46H122O14Si16
• Molecular Weight: 1348.84 g/mol
• Exact Mass: 1346.51
• IUPAC Name: 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C46H122O14Si16/c1-45(2)46(47)48-37-36-38-73(58-70(30,31)39-42-74(49-61(3,4)5,50-62(6,7)8)51-63(9,10)11,59-71(32,33)40-43-75(52-64(12,13)14,53-65(15,16)17)54-66(18,19)20)60-72(34,35)41-44-76(55-67(21,22)23,56-68(24,25)26)57-69(27,28)29/h1,36-44H2,2-35H3
• InChIKey: JDHHNCWIHSOUMV-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 137.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.84
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate?

The IUPAC name of 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate (CID 88568225) is 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate?

The canonical SMILES for 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate?

The InChIKey is JDHHNCWIHSOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H122O14Si16/c1-45(2)46(47)48-37-36-38-73(58-70(30,31)39-42-74(49-61(3,4)5,50-62(6,7)8)51-63(9,10)11,59-71(32,33)40-43-75(52-64(12,13)14,53-65(15,16)17)54-66(18,19)20)60-72(34,35)41-44-76(55-67(21,22)23,56-68(24,25)26)57-69(27,28)29/h1,36-44H2,2-35H3.

What are the key properties of 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate?

3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate has a molecular weight of 1348.84 g/mol, XLogP of 16.58, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 88568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).