3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate

C34H72O9Si7 — CID 149435617

About 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate

3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 149435617) has the molecular formula C34H72O9Si7 and a molecular weight of 821.54 g/mol. Its IUPAC name is 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 149435617
• Molecular Formula: C34H72O9Si7
• Molecular Weight: 821.54 g/mol
• Exact Mass: 820.36
• IUPAC Name: 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)C([SiH3])([Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(C)C)[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(C)C
• InChI: InChI=1S/C34H72O9Si7/c1-28(2)31(35)38-22-19-25-48(16,41-45(7,8)9)34(44,49(17,42-46(10,11)12)26-20-23-39-32(36)29(3)4)50(18,43-47(13,14)15)27-21-24-40-33(37)30(5)6/h1,3,5,19-27H2,2,4,6-18,44H3
• InChIKey: FPECRNOELNNTGL-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.54
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate (CID 149435617) is 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)C([SiH3])([Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(C)C)[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(C)C.

What is the InChIKey of 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?

The InChIKey is FPECRNOELNNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72O9Si7/c1-28(2)31(35)38-22-19-25-48(16,41-45(7,8)9)34(44,49(17,42-46(10,11)12)26-20-23-39-32(36)29(3)4)50(18,43-47(13,14)15)27-21-24-40-33(37)30(5)6/h1,3,5,19-27H2,2,4,6-18,44H3.

What are the key properties of 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?

3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 821.54 g/mol, XLogP of 7.94, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 149435617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).