[3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium

C34H77ClNO10Si4+ — CID 58965650

About [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium

[3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium (PubChem CID 58965650) has the molecular formula C34H77ClNO10Si4+ and a molecular weight of 807.78 g/mol. Its IUPAC name is [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium.

Molecular Properties

• Compound Name: [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium
• PubChem CID: 58965650
• Molecular Formula: C34H77ClNO10Si4+
• Molecular Weight: 807.78 g/mol
• Exact Mass: 806.43
• IUPAC Name: [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium
• SMILES: C[N+](C)(CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CCl)CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC1CO1
• InChI: InChI=1S/C34H77ClNO10Si4/c1-36(2,24-32(38)27-41-16-12-20-48(5,6)45-47(3,4)19-11-15-40-26-31(37)23-35)25-33(39)28-42-17-13-21-49(7,8)46-50(9,10)22-14-18-43-29-34-30-44-34/h31-34,37-39H,11-30H2,1-10H3/q+1
• InChIKey: BZRQHCCXWFAWRE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 128.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 33
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.78
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium?

The IUPAC name of [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium (CID 58965650) is [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium.

What is the SMILES notation for [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium?

The canonical SMILES for [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium is C[N+](C)(CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CCl)CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC1CO1.

What is the InChIKey of [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium?

The InChIKey is BZRQHCCXWFAWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H77ClNO10Si4/c1-36(2,24-32(38)27-41-16-12-20-48(5,6)45-47(3,4)19-11-15-40-26-31(37)23-35)25-33(39)28-42-17-13-21-49(7,8)46-50(9,10)22-14-18-43-29-34-30-44-34/h31-34,37-39H,11-30H2,1-10H3/q+1.

What are the key properties of [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium?

[3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium has a molecular weight of 807.78 g/mol, XLogP of 5.26, 33 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[3-(3-chloro-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-[3-[3-[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-dimethylazanium is sourced from PubChem (CID 58965650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).