6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane

C33H70O6S4Si2 — CID 59259628

IUPAC6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane
SMILESCCCCC1CCC(CCCCCC[Si](OCC)(OCC)OCC)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1
InChIInChI=1S/C33H70O6S4Si2/c1-8-15-21-31-23-24-32(22-18-16-17-19-28-44(34-9-2,35-10-3)36-11-4)33(30-31)25-27-43(42-41-40)26-20-29-45(37-12-5,38-13-6)39-14-7/h31-33H,8-30H2,1-7H3
InChIKeyMANFJLMPDBEZGQ-UHFFFAOYSA-N
MW747.36 g/mol
LogP9.11
Rot. Bonds29

About 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane

6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane (PubChem CID 59259628) has the molecular formula C33H70O6S4Si2 and a molecular weight of 747.36 g/mol. Its IUPAC name is 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane.

Molecular Properties

Compound Name6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane
PubChem CID59259628
Molecular FormulaC33H70O6S4Si2
Molecular Weight747.36 g/mol
Exact Mass746.36
IUPAC Name6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane
SMILESCCCCC1CCC(CCCCCC[Si](OCC)(OCC)OCC)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1
InChIInChI=1S/C33H70O6S4Si2/c1-8-15-21-31-23-24-32(22-18-16-17-19-28-44(34-9-2,35-10-3)36-11-4)33(30-31)25-27-43(42-41-40)26-20-29-45(37-12-5,38-13-6)39-14-7/h31-33H,8-30H2,1-7H3
InChIKeyMANFJLMPDBEZGQ-UHFFFAOYSA-N
XLogP9.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.36
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane?
The IUPAC name of 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane (CID 59259628) is 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane.
What is the SMILES notation for 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane?
The canonical SMILES for 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane is CCCCC1CCC(CCCCCC[Si](OCC)(OCC)OCC)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1.
What is the InChIKey of 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane?
The InChIKey is MANFJLMPDBEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70O6S4Si2/c1-8-15-21-31-23-24-32(22-18-16-17-19-28-44(34-9-2,35-10-3)36-11-4)33(30-31)25-27-43(42-41-40)26-20-29-45(37-12-5,38-13-6)39-14-7/h31-33H,8-30H2,1-7H3.
What are the key properties of 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane?
6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane has a molecular weight of 747.36 g/mol, XLogP of 9.11, 29 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]hexyl-triethoxysilane is sourced from PubChem (CID 59259628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).