bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate

C52H134O12Si16 — CID 157469174

IUPACbis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate
SMILESCC(CCC(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C)C(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C
InChIInChI=1S/C52H134O12Si16/c1-50(52(54)56-35-21-23-37-68-60-76(10,11)45-27-25-39-70-62-78(14,15)49-31-43-72-64-80(18,19)47-29-41-66-58-74(5,6)7)32-33-51(53)55-34-20-22-36-67-59-75(8,9)44-26-24-38-69-61-77(12,13)48-30-42-71-63-79(16,17)46-28-40-65-57-73(2,3)4/h50H,20-49,65-72H2,1-19H3
InChIKeyBUVBIXAJRZTMPL-UHFFFAOYSA-N
MW1401.01 g/mol
LogP11.22
Rot. Bonds56

About bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate

bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate (PubChem CID 157469174) has the molecular formula C52H134O12Si16 and a molecular weight of 1401.01 g/mol. Its IUPAC name is bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate.

Molecular Properties

Compound Namebis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate
PubChem CID157469174
Molecular FormulaC52H134O12Si16
Molecular Weight1401.01 g/mol
Exact Mass1398.62
IUPAC Namebis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate
SMILESCC(CCC(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C)C(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C
InChIInChI=1S/C52H134O12Si16/c1-50(52(54)56-35-21-23-37-68-60-76(10,11)45-27-25-39-70-62-78(14,15)49-31-43-72-64-80(18,19)47-29-41-66-58-74(5,6)7)32-33-51(53)55-34-20-22-36-67-59-75(8,9)44-26-24-38-69-61-77(12,13)48-30-42-71-63-79(16,17)46-28-40-65-57-73(2,3)4/h50H,20-49,65-72H2,1-19H3
InChIKeyBUVBIXAJRZTMPL-UHFFFAOYSA-N
XLogP11.22
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds56
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.01
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate?
The IUPAC name of bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate (CID 157469174) is bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate.
What is the SMILES notation for bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate?
The canonical SMILES for bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate is CC(CCC(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C)C(=O)OCCCC[SiH2]O[Si](C)(C)CCCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)CCC[SiH2]O[Si](C)(C)C.
What is the InChIKey of bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate?
The InChIKey is BUVBIXAJRZTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H134O12Si16/c1-50(52(54)56-35-21-23-37-68-60-76(10,11)45-27-25-39-70-62-78(14,15)49-31-43-72-64-80(18,19)47-29-41-66-58-74(5,6)7)32-33-51(53)55-34-20-22-36-67-59-75(8,9)44-26-24-38-69-61-77(12,13)48-30-42-71-63-79(16,17)46-28-40-65-57-73(2,3)4/h50H,20-49,65-72H2,1-19H3.
What are the key properties of bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate?
bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate has a molecular weight of 1401.01 g/mol, XLogP of 11.22, 56 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate is sourced from PubChem (CID 157469174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).