tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

C28H59N3O8Si4 — CID 158000142

About tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (PubChem CID 158000142) has the molecular formula C28H59N3O8Si4 and a molecular weight of 678.14 g/mol. Its IUPAC name is tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
• PubChem CID: 158000142
• Molecular Formula: C28H59N3O8Si4
• Molecular Weight: 678.14 g/mol
• Exact Mass: 677.34
• IUPAC Name: tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(N)=O.C=C(C)C(N)=O.C=C(C)C(N)=O
• InChI: InChI=1S/C16H38O5Si4.3C4H7NO/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11;3*1-3(2)4(5)6/h1,12-14H2,2-11H3;3*1H2,2H3,(H2,5,6)
• InChIKey: FDQBTUXRYRFSEU-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 183.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.14
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?

The IUPAC name of tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (CID 158000142) is tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.

What is the SMILES notation for tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?

The canonical SMILES for tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(N)=O.C=C(C)C(N)=O.C=C(C)C(N)=O.

What is the InChIKey of tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?

The InChIKey is FDQBTUXRYRFSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si4.3C4H7NO/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11;3*1-3(2)4(5)6/h1,12-14H2,2-11H3;3*1H2,2H3,(H2,5,6).

What are the key properties of tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?

tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate has a molecular weight of 678.14 g/mol, XLogP of 5.13, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 158000142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).