ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane

C22H50O4S4Si2 — CID 88832801

IUPACethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane
SMILESCCCO[Si](C)(CCCCCSSSSCCCCC[Si](C)(OCC)OCCC)OCC
InChIInChI=1S/C22H50O4S4Si2/c1-7-17-25-31(5,23-9-3)21-15-11-13-19-27-29-30-28-20-14-12-16-22-32(6,24-10-4)26-18-8-2/h7-22H2,1-6H3
InChIKeyQKRMADUEJFSRHY-UHFFFAOYSA-N
MW563.08 g/mol
LogP9.07
Rot. Bonds25

About ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane

ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane (PubChem CID 88832801) has the molecular formula C22H50O4S4Si2 and a molecular weight of 563.08 g/mol. Its IUPAC name is ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane.

Molecular Properties

Compound Nameethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane
PubChem CID88832801
Molecular FormulaC22H50O4S4Si2
Molecular Weight563.08 g/mol
Exact Mass562.21
IUPAC Nameethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane
SMILESCCCO[Si](C)(CCCCCSSSSCCCCC[Si](C)(OCC)OCCC)OCC
InChIInChI=1S/C22H50O4S4Si2/c1-7-17-25-31(5,23-9-3)21-15-11-13-19-27-29-30-28-20-14-12-16-22-32(6,24-10-4)26-18-8-2/h7-22H2,1-6H3
InChIKeyQKRMADUEJFSRHY-UHFFFAOYSA-N
XLogP9.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.08
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl-methyl-dipropoxysilane
CID 22228671
decyl-methyl-dipropoxysilane
CID 22228658
diethoxy-methyl-undecylsilane
CID 140884401
dibutoxy-methyl-octylsilane
CID 54173263
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
4-[diethoxy(methyl)silyl]butyl thiocyanate
CID 151709752
butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
CID 18462296
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(dodecylhexasulfanyl)dodecane
CID 139607418
dibutoxy-(2-ethoxyethyl)-methylsilane
CID 58512810
diethoxy-methyl-(2-trimethylsilylsulfanylethyl)silane
CID 88867782

Frequently Asked Questions

What is the IUPAC name of ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane?
The IUPAC name of ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane (CID 88832801) is ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane.
What is the SMILES notation for ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane?
The canonical SMILES for ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane is CCCO[Si](C)(CCCCCSSSSCCCCC[Si](C)(OCC)OCCC)OCC.
What is the InChIKey of ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane?
The InChIKey is QKRMADUEJFSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O4S4Si2/c1-7-17-25-31(5,23-9-3)21-15-11-13-19-27-29-30-28-20-14-12-16-22-32(6,24-10-4)26-18-8-2/h7-22H2,1-6H3.
What are the key properties of ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane?
ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane has a molecular weight of 563.08 g/mol, XLogP of 9.07, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane is sourced from PubChem (CID 88832801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).