3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium

C28H58NO18Si5+ — CID 169322511

About 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium

3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium (PubChem CID 169322511) has the molecular formula C28H58NO18Si5+ and a molecular weight of 837.19 g/mol. Its IUPAC name is 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium
• PubChem CID: 169322511
• Molecular Formula: C28H58NO18Si5+
• Molecular Weight: 837.19 g/mol
• Exact Mass: 836.25
• IUPAC Name: 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium
• SMILES: C=C(C)C(=O)OCCC[Si](O)(O)O[Si](O[Si](O)(O)CCCOC(=O)C(=C)C)(O[Si](O)(O)CCCOC(=O)C(=C)C)O[Si](O)(O)CCC[N+](C)(C)CC
• InChI: InChI=1S/C28H58NO18Si5/c1-10-29(8,9)15-11-19-48(33,34)44-52(45-49(35,36)20-12-16-41-26(30)23(2)3,46-50(37,38)21-13-17-42-27(31)24(4)5)47-51(39,40)22-14-18-43-28(32)25(6)7/h33-40H,2,4,6,10-22H2,1,3,5,7-9H3/q+1
• InChIKey: ZCMVQGCRBXARPZ-UHFFFAOYSA-N
• XLogP: -0.80
• TPSA: 277.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.19
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium?

The IUPAC name of 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium (CID 169322511) is 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium.

What is the SMILES notation for 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium?

The canonical SMILES for 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium is C=C(C)C(=O)OCCC[Si](O)(O)O[Si](O[Si](O)(O)CCCOC(=O)C(=C)C)(O[Si](O)(O)CCCOC(=O)C(=C)C)O[Si](O)(O)CCC[N+](C)(C)CC.

What is the InChIKey of 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium?

The InChIKey is ZCMVQGCRBXARPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58NO18Si5/c1-10-29(8,9)15-11-19-48(33,34)44-52(45-49(35,36)20-12-16-41-26(30)23(2)3,46-50(37,38)21-13-17-42-27(31)24(4)5)47-51(39,40)22-14-18-43-28(32)25(6)7/h33-40H,2,4,6,10-22H2,1,3,5,7-9H3/q+1.

What are the key properties of 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium?

3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium has a molecular weight of 837.19 g/mol, XLogP of -0.80, 28 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium is sourced from PubChem (CID 169322511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).