butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane

C23H64O13Si7 — CID 123814598

About butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane

butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane (PubChem CID 123814598) has the molecular formula C23H64O13Si7 and a molecular weight of 745.35 g/mol. Its IUPAC name is butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane.

Molecular Properties

• Compound Name: butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane
• PubChem CID: 123814598
• Molecular Formula: C23H64O13Si7
• Molecular Weight: 745.35 g/mol
• Exact Mass: 744.27
• IUPAC Name: butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane
• SMILES: CCCC[SiH](C)O.CO[Si](CC[SiH](C)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(O)CC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C18H50O12Si6.C5H14OSi/c1-20-34(21-2,22-3)14-13-31(10)29-33(12,16-18-36(26-7,27-8)28-9)30-32(11,19)15-17-35(23-4,24-5)25-6;1-3-4-5-7(2)6/h19,31H,13-18H2,1-12H3;6-7H,3-5H2,1-2H3
• InChIKey: QLQNGUJAEJUJEG-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 141.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.35
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane?

The IUPAC name of butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane (CID 123814598) is butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane.

What is the SMILES notation for butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane?

The canonical SMILES for butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane is CCCC[SiH](C)O.CO[Si](CC[SiH](C)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(O)CC[Si](OC)(OC)OC)(OC)OC.

What is the InChIKey of butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane?

The InChIKey is QLQNGUJAEJUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H50O12Si6.C5H14OSi/c1-20-34(21-2,22-3)14-13-31(10)29-33(12,16-18-36(26-7,27-8)28-9)30-32(11,19)15-17-35(23-4,24-5)25-6;1-3-4-5-7(2)6/h19,31H,13-18H2,1-12H3;6-7H,3-5H2,1-2H3.

What are the key properties of butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane?

butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane has a molecular weight of 745.35 g/mol, XLogP of 3.28, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for butyl-hydroxy-methylsilane;hydroxy-methyl-[methyl-[methyl(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silyl]oxy-(2-trimethoxysilylethyl)silane is sourced from PubChem (CID 123814598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).