[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane

C38H70O10S4Si4 — CID 91344306

IUPAC[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane
SMILESCO[Si](CC(C)C(SSSSC(C(C)C[Si](OC)(OC)OC)C(C(C)C)[Si](OC)(OC)c1ccccc1)C(C(C)C)[Si](OC)(OC)c1ccccc1)(OC)OC
InChIInChI=1S/C38H70O10S4Si4/c1-29(2)37(55(45-13,46-14)33-23-19-17-20-24-33)35(31(5)27-53(39-7,40-8)41-9)49-51-52-50-36(32(6)28-54(42-10,43-11)44-12)38(30(3)4)56(47-15,48-16)34-25-21-18-22-26-34/h17-26,29-32,35-38H,27-28H2,1-16H3
InChIKeyMLKLHOAJGNAHOO-UHFFFAOYSA-N
MW927.58 g/mol
LogP8.77
Rot. Bonds29

About [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane

[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane (PubChem CID 91344306) has the molecular formula C38H70O10S4Si4 and a molecular weight of 927.58 g/mol. Its IUPAC name is [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane
PubChem CID91344306
Molecular FormulaC38H70O10S4Si4
Molecular Weight927.58 g/mol
Exact Mass926.29
IUPAC Name[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane
SMILESCO[Si](CC(C)C(SSSSC(C(C)C[Si](OC)(OC)OC)C(C(C)C)[Si](OC)(OC)c1ccccc1)C(C(C)C)[Si](OC)(OC)c1ccccc1)(OC)OC
InChIInChI=1S/C38H70O10S4Si4/c1-29(2)37(55(45-13,46-14)33-23-19-17-20-24-33)35(31(5)27-53(39-7,40-8)41-9)49-51-52-50-36(32(6)28-54(42-10,43-11)44-12)38(30(3)4)56(47-15,48-16)34-25-21-18-22-26-34/h17-26,29-32,35-38H,27-28H2,1-16H3
InChIKeyMLKLHOAJGNAHOO-UHFFFAOYSA-N
XLogP8.77
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.58
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane?
The IUPAC name of [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane (CID 91344306) is [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane.
What is the SMILES notation for [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane?
The canonical SMILES for [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane is CO[Si](CC(C)C(SSSSC(C(C)C[Si](OC)(OC)OC)C(C(C)C)[Si](OC)(OC)c1ccccc1)C(C(C)C)[Si](OC)(OC)c1ccccc1)(OC)OC.
What is the InChIKey of [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane?
The InChIKey is MLKLHOAJGNAHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70O10S4Si4/c1-29(2)37(55(45-13,46-14)33-23-19-17-20-24-33)35(31(5)27-53(39-7,40-8)41-9)49-51-52-50-36(32(6)28-54(42-10,43-11)44-12)38(30(3)4)56(47-15,48-16)34-25-21-18-22-26-34/h17-26,29-32,35-38H,27-28H2,1-16H3.
What are the key properties of [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane?
[4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane has a molecular weight of 927.58 g/mol, XLogP of 8.77, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethoxy(phenyl)silyl]-3-[[4-[dimethoxy(phenyl)silyl]-2,5-dimethyl-1-trimethoxysilylhexan-3-yl]tetrasulfanyl]-2,5-dimethylhexyl]-trimethoxysilane is sourced from PubChem (CID 91344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).