triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane

C21H52O9S5Si3 — CID 174845742

IUPACtriethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
SMILESCCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.CO[Si](S)(OC)OC
InChIInChI=1S/C18H42O6S4Si2.C3H10O3SSi/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6;1-4-8(7,5-2)6-3/h7-18H2,1-6H3;7H,1-3H3
InChIKeyRNZFGCYVATWNCF-UHFFFAOYSA-N
MW693.23 g/mol
LogP6.83
Rot. Bonds26

About triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane

triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane (PubChem CID 174845742) has the molecular formula C21H52O9S5Si3 and a molecular weight of 693.23 g/mol. Its IUPAC name is triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane.

Molecular Properties

Compound Nametriethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
PubChem CID174845742
Molecular FormulaC21H52O9S5Si3
Molecular Weight693.23 g/mol
Exact Mass692.15
IUPAC Nametriethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
SMILESCCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.CO[Si](S)(OC)OC
InChIInChI=1S/C18H42O6S4Si2.C3H10O3SSi/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6;1-4-8(7,5-2)6-3/h7-18H2,1-6H3;7H,1-3H3
InChIKeyRNZFGCYVATWNCF-UHFFFAOYSA-N
XLogP6.83
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.23
LogP ≤ 56.83
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
CID 18462296
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
CID 87112047
triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
CID 87139969
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
2-(3-triethoxysilylpropylhexasulfanyl)isoindole-1,3-dione
CID 139813746
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane?
The IUPAC name of triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane (CID 174845742) is triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane.
What is the SMILES notation for triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane?
The canonical SMILES for triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane is CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.CO[Si](S)(OC)OC.
What is the InChIKey of triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane?
The InChIKey is RNZFGCYVATWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6S4Si2.C3H10O3SSi/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6;1-4-8(7,5-2)6-3/h7-18H2,1-6H3;7H,1-3H3.
What are the key properties of triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane?
triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane has a molecular weight of 693.23 g/mol, XLogP of 6.83, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane is sourced from PubChem (CID 174845742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).