triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane

C38H78O6S11Si2 — CID 87752976

IUPACtriethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane
SMILESCCCSSSSC(CC1CCC(CCSSSCCC2CCC(CC(SSSSCCC)[Si](OCC)(OCC)OCC)CC2)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C38H78O6S11Si2/c1-9-27-45-52-54-49-37(56(39-11-3,40-12-4)41-13-5)31-35-21-17-33(18-22-35)25-29-47-51-48-30-26-34-19-23-36(24-20-34)32-38(50-55-53-46-28-10-2)57(42-14-6,43-15-7)44-16-8/h33-38H,9-32H2,1-8H3
InChIKeyDJQJAVWBKRHSPP-UHFFFAOYSA-N
MW1039.94 g/mol
LogP16.28
Rot. Bonds38

About triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane

triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane (PubChem CID 87752976) has the molecular formula C38H78O6S11Si2 and a molecular weight of 1039.94 g/mol. Its IUPAC name is triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane
PubChem CID87752976
Molecular FormulaC38H78O6S11Si2
Molecular Weight1039.94 g/mol
Exact Mass1038.23
IUPAC Nametriethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane
SMILESCCCSSSSC(CC1CCC(CCSSSCCC2CCC(CC(SSSSCCC)[Si](OCC)(OCC)OCC)CC2)CC1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C38H78O6S11Si2/c1-9-27-45-52-54-49-37(56(39-11-3,40-12-4)41-13-5)31-35-21-17-33(18-22-35)25-29-47-51-48-30-26-34-19-23-36(24-20-34)32-38(50-55-53-46-28-10-2)57(42-14-6,43-15-7)44-16-8/h33-38H,9-32H2,1-8H3
InChIKeyDJQJAVWBKRHSPP-UHFFFAOYSA-N
XLogP16.28
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.94
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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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Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane?
The IUPAC name of triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane (CID 87752976) is triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane.
What is the SMILES notation for triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane?
The canonical SMILES for triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane is CCCSSSSC(CC1CCC(CCSSSCCC2CCC(CC(SSSSCCC)[Si](OCC)(OCC)OCC)CC2)CC1)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane?
The InChIKey is DJQJAVWBKRHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78O6S11Si2/c1-9-27-45-52-54-49-37(56(39-11-3,40-12-4)41-13-5)31-35-21-17-33(18-22-35)25-29-47-51-48-30-26-34-19-23-36(24-20-34)32-38(50-55-53-46-28-10-2)57(42-14-6,43-15-7)44-16-8/h33-38H,9-32H2,1-8H3.
What are the key properties of triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane?
triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane has a molecular weight of 1039.94 g/mol, XLogP of 16.28, 38 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane is sourced from PubChem (CID 87752976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).