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

C42H96O12Si5 — CID 166028738

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

3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol (PubChem CID 166028738) has the molecular formula C42H96O12Si5 and a molecular weight of 933.65 g/mol. Its IUPAC name is 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol
• PubChem CID: 166028738
• Molecular Formula: C42H96O12Si5
• Molecular Weight: 933.65 g/mol
• Exact Mass: 932.57
• IUPAC Name: 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol
• SMILES: CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)CO)O[Si](C)(C)C
• InChI: InChI=1S/C42H96O12Si5/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-27-45-30-32-47-34-36-49-37-35-48-33-31-46-28-25-39-59(11,53-57(8,9)51-55(2,3)4)54-58(10,52-56(5,6)7)38-26-29-50-41-42(44)40-43/h42-44H,12-41H2,1-11H3
• InChIKey: DDYQJAMUNJQHDQ-UHFFFAOYSA-N
• XLogP: 9.89
• TPSA: 132.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 45
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	933.65
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol (CID 166028738) is 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol.

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

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

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

The InChIKey is DDYQJAMUNJQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H96O12Si5/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-27-45-30-32-47-34-36-49-37-35-48-33-31-46-28-25-39-59(11,53-57(8,9)51-55(2,3)4)54-58(10,52-56(5,6)7)38-26-29-50-41-42(44)40-43/h42-44H,12-41H2,1-11H3.

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

3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol has a molecular weight of 933.65 g/mol, XLogP of 9.89, 45 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2-diol is sourced from PubChem (CID 166028738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).