1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane

C29H64O9S12Si3 — CID 141048417

IUPAC1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane
SMILESCCO[Si](CSSSSC(C)(O[Si](CSSSSCCC1CCCCC1)(OCC)OCC)SSSSC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H64O9S12Si3/c1-10-30-51(31-11-2,32-12-3)25-40-47-49-43-29(9,44-50-48-41-26-52(33-13-4,34-14-5)35-15-6)38-53(36-16-7,37-17-8)27-42-46-45-39-24-23-28-21-19-18-20-22-28/h28H,10-27H2,1-9H3
InChIKeyNVKFVBLDIKFMFU-UHFFFAOYSA-N
MW1025.88 g/mol
LogP13.41
Rot. Bonds38

About 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane

1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane (PubChem CID 141048417) has the molecular formula C29H64O9S12Si3 and a molecular weight of 1025.88 g/mol. Its IUPAC name is 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane.

Molecular Properties

Compound Name1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane
PubChem CID141048417
Molecular FormulaC29H64O9S12Si3
Molecular Weight1025.88 g/mol
Exact Mass1024.05
IUPAC Name1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane
SMILESCCO[Si](CSSSSC(C)(O[Si](CSSSSCCC1CCCCC1)(OCC)OCC)SSSSC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H64O9S12Si3/c1-10-30-51(31-11-2,32-12-3)25-40-47-49-43-29(9,44-50-48-41-26-52(33-13-4,34-14-5)35-15-6)38-53(36-16-7,37-17-8)27-42-46-45-39-24-23-28-21-19-18-20-22-28/h28H,10-27H2,1-9H3
InChIKeyNVKFVBLDIKFMFU-UHFFFAOYSA-N
XLogP13.41
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.88
LogP ≤ 513.41
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-cyclohexylethyltrisulfanyl)-bis(triethoxysilylmethyltetrasulfanyl)-λ4-sulfanyl]ethoxy-diethoxy-ethylsilane
CID 22627789
[2-[1,2-bis[2-(triethoxysilylmethyltetrasulfanyl)ethyl]cyclododecyl]ethyltetrasulfanyl]methyl-triethoxysilane
CID 142660714
[[2,6-dimethyl-1,1,1,2,3-pentakis(triethoxysilylmethyltetrasulfanyl)octan-3-yl]tetrasulfanyl]methyl-triethoxysilane
CID 22627780
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
2-ethylsulfanylethylcyclohexane
CID 89032228
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-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane
CID 87752976
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
CID 87139884
2-methylsulfanylethylcyclohexane
CID 14024904
8-bicyclo[5.1.0]octanyl(triethoxy)silane
CID 67644159
cyclohexyl(triethoxy)silane
CID 15653995

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane?
The IUPAC name of 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane (CID 141048417) is 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane.
What is the SMILES notation for 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane?
The canonical SMILES for 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane is CCO[Si](CSSSSC(C)(O[Si](CSSSSCCC1CCCCC1)(OCC)OCC)SSSSC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane?
The InChIKey is NVKFVBLDIKFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H64O9S12Si3/c1-10-30-51(31-11-2,32-12-3)25-40-47-49-43-29(9,44-50-48-41-26-52(33-13-4,34-14-5)35-15-6)38-53(36-16-7,37-17-8)27-42-46-45-39-24-23-28-21-19-18-20-22-28/h28H,10-27H2,1-9H3.
What are the key properties of 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane?
1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane has a molecular weight of 1025.88 g/mol, XLogP of 13.41, 38 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane is sourced from PubChem (CID 141048417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).