4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane

C20H46O4S2Si2 — CID 123596896

IUPAC4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane
SMILESCOC(CCC[SiH2]CCCCSSCCCC[SiH2]CCCC(OC)OC)OC
InChIInChI=1S/C20H46O4S2Si2/c1-21-19(22-2)11-9-17-27-15-7-5-13-25-26-14-6-8-16-28-18-10-12-20(23-3)24-4/h19-20H,5-18,27-28H2,1-4H3
InChIKeyAOGPAJALPJAEET-UHFFFAOYSA-N
MW470.89 g/mol
LogP4.74
Rot. Bonds23

About 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane

4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane (PubChem CID 123596896) has the molecular formula C20H46O4S2Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane.

Molecular Properties

Compound Name4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane
PubChem CID123596896
Molecular FormulaC20H46O4S2Si2
Molecular Weight470.89 g/mol
Exact Mass470.24
IUPAC Name4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane
SMILESCOC(CCC[SiH2]CCCCSSCCCC[SiH2]CCCC(OC)OC)OC
InChIInChI=1S/C20H46O4S2Si2/c1-21-19(22-2)11-9-17-27-15-7-5-13-25-26-14-6-8-16-28-18-10-12-20(23-3)24-4/h19-20H,5-18,27-28H2,1-4H3
InChIKeyAOGPAJALPJAEET-UHFFFAOYSA-N
XLogP4.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxypropyl-[3-(3,3-dimethoxypropylsilyl)propyl]silane
CID 123145212
4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
CID 123229038
4-[2-(4,4-dimethoxybutylsilyl)ethyl]benzoic acid
CID 150548695
4,4-dimethoxybutylsilane
CID 123239854
2,2-dimethoxyethyl-[2-(2,2-dimethoxyethylsilyl)ethyl]silane
CID 123339404
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
1,1-dimethoxytetradecane
CID 13265409
CID 87143887
CID 87143887
3-[2-(1-methoxypropoxy)ethylsilyl]propan-1-amine
CID 174968471
12,12-dimethoxydodecan-1-ol
CID 71412944
CID 87143979
CID 87143979
bis(5-methoxypentyl)silane
CID 175221855

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane?
The IUPAC name of 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane (CID 123596896) is 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane.
What is the SMILES notation for 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane?
The canonical SMILES for 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane is COC(CCC[SiH2]CCCCSSCCCC[SiH2]CCCC(OC)OC)OC.
What is the InChIKey of 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane?
The InChIKey is AOGPAJALPJAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O4S2Si2/c1-21-19(22-2)11-9-17-27-15-7-5-13-25-26-14-6-8-16-28-18-10-12-20(23-3)24-4/h19-20H,5-18,27-28H2,1-4H3.
What are the key properties of 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane?
4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane has a molecular weight of 470.89 g/mol, XLogP of 4.74, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxybutyl-[4-[4-(4,4-dimethoxybutylsilyl)butyldisulfanyl]butyl]silane is sourced from PubChem (CID 123596896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).