2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol

C42H96O11Si5 — CID 163981738

About 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol

2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (PubChem CID 163981738) has the molecular formula C42H96O11Si5 and a molecular weight of 917.65 g/mol. Its IUPAC name is 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

Molecular Properties

• Compound Name: 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• PubChem CID: 163981738
• Molecular Formula: C42H96O11Si5
• Molecular Weight: 917.65 g/mol
• Exact Mass: 916.58
• IUPAC Name: 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C
• InChI: InChI=1S/C42H96O11Si5/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-45-33-35-47-37-38-48-36-34-46-31-28-40-58(11,52-56(8,9)50-54(2,3)4)53-57(10,51-55(5,6)7)39-29-32-49-41-42(43)44/h42-44H,12-41H2,1-11H3
• InChIKey: MUBDTDDRJVTSGL-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 123.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 44
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.65
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The IUPAC name of 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (CID 163981738) is 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

What is the SMILES notation for 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The canonical SMILES for 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C.

What is the InChIKey of 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The InChIKey is MUBDTDDRJVTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H96O11Si5/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-45-33-35-47-37-38-48-36-34-46-31-28-40-58(11,52-56(8,9)50-54(2,3)4)53-57(10,51-55(5,6)7)39-29-32-49-41-42(43)44/h42-44H,12-41H2,1-11H3.

What are the key properties of 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol has a molecular weight of 917.65 g/mol, XLogP of 11.00, 44 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is sourced from PubChem (CID 163981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).