[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane

C39H84O9S12Si3 — CID 142660714

IUPAC[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane
SMILESCCO[Si](CSSSSCCC1CCCCCCCCCCC1(CCSSSSC[Si](OCC)(OCC)OCC)CCSSSSC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C39H84O9S12Si3/c1-10-40-61(41-11-2,42-12-3)35-52-58-55-49-32-28-38-27-25-23-21-19-20-22-24-26-29-39(38,30-33-50-56-59-53-36-62(43-13-4,44-14-5)45-15-6)31-34-51-57-60-54-37-63(46-16-7,47-17-8)48-18-9/h38H,10-37H2,1-9H3
InChIKeyFAFZUBWCLXAQNB-UHFFFAOYSA-N
MW1166.15 g/mol
LogP16.47
Rot. Bonds42

About [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane

[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane (PubChem CID 142660714) has the molecular formula C39H84O9S12Si3 and a molecular weight of 1166.15 g/mol. Its IUPAC name is [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane.

Molecular Properties

Compound Name[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane
PubChem CID142660714
Molecular FormulaC39H84O9S12Si3
Molecular Weight1166.15 g/mol
Exact Mass1164.21
IUPAC Name[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane
SMILESCCO[Si](CSSSSCCC1CCCCCCCCCCC1(CCSSSSC[Si](OCC)(OCC)OCC)CCSSSSC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C39H84O9S12Si3/c1-10-40-61(41-11-2,42-12-3)35-52-58-55-49-32-28-38-27-25-23-21-19-20-22-24-26-29-39(38,30-33-50-56-59-53-36-62(43-13-4,44-14-5)45-15-6)31-34-51-57-60-54-37-63(46-16-7,47-17-8)48-18-9/h38H,10-37H2,1-9H3
InChIKeyFAFZUBWCLXAQNB-UHFFFAOYSA-N
XLogP16.47
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.15
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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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Related Compounds

triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
CID 87139884
1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane
CID 141048417
2-[1-(2-sulfanylethyl)-2-(2-triethoxysilylethyl)cyclohexyl]ethanethiol
CID 87112044
2-[(2-cyclohexylethyltrisulfanyl)-bis(triethoxysilylmethyltetrasulfanyl)-λ4-sulfanyl]ethoxy-diethoxy-ethylsilane
CID 22627789
2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane
CID 21186922
2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
CID 150682925
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
triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
CID 19366376
CID 18764306
CID 18764306
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
1-bicyclo[2.2.1]heptanyl-[2-(2-cyclohexylethyltetrasulfanyl)-2,2-bis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]ethoxy]-diethoxysilane
CID 151943364

Frequently Asked Questions

What is the IUPAC name of [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane?
The IUPAC name of [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane (CID 142660714) is [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane.
What is the SMILES notation for [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane?
The canonical SMILES for [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane is CCO[Si](CSSSSCCC1CCCCCCCCCCC1(CCSSSSC[Si](OCC)(OCC)OCC)CCSSSSC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane?
The InChIKey is FAFZUBWCLXAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H84O9S12Si3/c1-10-40-61(41-11-2,42-12-3)35-52-58-55-49-32-28-38-27-25-23-21-19-20-22-24-26-29-39(38,30-33-50-56-59-53-36-62(43-13-4,44-14-5)45-15-6)31-34-51-57-60-54-37-63(46-16-7,47-17-8)48-18-9/h38H,10-37H2,1-9H3.
What are the key properties of [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane?
[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane has a molecular weight of 1166.15 g/mol, XLogP of 16.47, 42 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane is sourced from PubChem (CID 142660714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).