2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol

C40H98O9Si8 — CID 163783945

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

2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (PubChem CID 163783945) has the molecular formula C40H98O9Si8 and a molecular weight of 947.90 g/mol. Its IUPAC name is 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

Molecular Properties

• Compound Name: 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• PubChem CID: 163783945
• Molecular Formula: C40H98O9Si8
• Molecular Weight: 947.90 g/mol
• Exact Mass: 946.54
• IUPAC Name: 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• SMILES: CCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCC[Si](C)(C)O[Si](C)(C)CCC)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C
• InChI: InChI=1S/C40H98O9Si8/c1-18-20-21-22-23-24-25-26-27-28-29-30-36-56(16,47-54(13,14)44-50(3,4)5)49-57(17,38-32-35-53(11,12)46-52(9,10)34-19-2)48-55(15,45-51(6,7)8)37-31-33-43-39-40(41)42/h40-42H,18-39H2,1-17H3
• InChIKey: XRKGSTHCMBLWIG-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 37
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.90
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The IUPAC name of 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (CID 163783945) is 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

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

The canonical SMILES for 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is CCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCC[Si](C)(C)O[Si](C)(C)CCC)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C.

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

The InChIKey is XRKGSTHCMBLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H98O9Si8/c1-18-20-21-22-23-24-25-26-27-28-29-30-36-56(16,47-54(13,14)44-50(3,4)5)49-57(17,38-32-35-53(11,12)46-52(9,10)34-19-2)48-55(15,45-51(6,7)8)37-31-33-43-39-40(41)42/h40-42H,18-39H2,1-17H3.

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

2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol has a molecular weight of 947.90 g/mol, XLogP of 13.30, 37 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propyl-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-tetradecylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is sourced from PubChem (CID 163783945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).