3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate

C32H56O12Si4 — CID 22590275

About 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate

3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate (PubChem CID 22590275) has the molecular formula C32H56O12Si4 and a molecular weight of 745.13 g/mol. Its IUPAC name is 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate
• PubChem CID: 22590275
• Molecular Formula: C32H56O12Si4
• Molecular Weight: 745.13 g/mol
• Exact Mass: 744.28
• IUPAC Name: 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si]1(C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1
• InChI: InChI=1S/C32H56O12Si4/c1-25(2)29(33)37-17-13-21-45(9)41-46(10,22-14-18-38-30(34)26(3)4)43-48(12,24-16-20-40-32(36)28(7)8)44-47(11,42-45)23-15-19-39-31(35)27(5)6/h1,3,5,7,13-24H2,2,4,6,8-12H3
• InChIKey: BSUWHQDKSFHJPE-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	745.13
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate (CID 22590275) is 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si]1(C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1.

What is the InChIKey of 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate?

The InChIKey is BSUWHQDKSFHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O12Si4/c1-25(2)29(33)37-17-13-21-45(9)41-46(10,22-14-18-38-30(34)26(3)4)43-48(12,24-16-20-40-32(36)28(7)8)44-47(11,42-45)23-15-19-39-31(35)27(5)6/h1,3,5,7,13-24H2,2,4,6,8-12H3.

What are the key properties of 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate?

3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate has a molecular weight of 745.13 g/mol, XLogP of 6.39, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 22590275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).