triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane

C31H66O6S4Si2 — CID 70660531

IUPACtriethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCCC1CCC(CCS(=S)CCC[Si](OCC)(OCC)OCC)C(CCS(=S)CCC[Si](OCC)(OCC)OCC)C1
InChIInChI=1S/C31H66O6S4Si2/c1-8-17-29-18-19-30(20-24-40(38)22-15-26-42(32-9-2,33-10-3)34-11-4)31(28-29)21-25-41(39)23-16-27-43(35-12-5,36-13-6)37-14-7/h29-31H,8-28H2,1-7H3
InChIKeyPSBZMNLQWFISQH-UHFFFAOYSA-N
MW719.30 g/mol
LogP7.64
Rot. Bonds28

About triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane

triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane (PubChem CID 70660531) has the molecular formula C31H66O6S4Si2 and a molecular weight of 719.30 g/mol. Its IUPAC name is triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
PubChem CID70660531
Molecular FormulaC31H66O6S4Si2
Molecular Weight719.30 g/mol
Exact Mass718.33
IUPAC Nametriethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCCC1CCC(CCS(=S)CCC[Si](OCC)(OCC)OCC)C(CCS(=S)CCC[Si](OCC)(OCC)OCC)C1
InChIInChI=1S/C31H66O6S4Si2/c1-8-17-29-18-19-30(20-24-40(38)22-15-26-42(32-9-2,33-10-3)34-11-4)31(28-29)21-25-41(39)23-16-27-43(35-12-5,36-13-6)37-14-7/h29-31H,8-28H2,1-7H3
InChIKeyPSBZMNLQWFISQH-UHFFFAOYSA-N
XLogP7.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.30
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane (CID 70660531) is triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane is CCCC1CCC(CCS(=S)CCC[Si](OCC)(OCC)OCC)C(CCS(=S)CCC[Si](OCC)(OCC)OCC)C1.
What is the InChIKey of triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The InChIKey is PSBZMNLQWFISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66O6S4Si2/c1-8-17-29-18-19-30(20-24-40(38)22-15-26-42(32-9-2,33-10-3)34-11-4)31(28-29)21-25-41(39)23-16-27-43(35-12-5,36-13-6)37-14-7/h29-31H,8-28H2,1-7H3.
What are the key properties of triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane has a molecular weight of 719.30 g/mol, XLogP of 7.64, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[4-propyl-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane is sourced from PubChem (CID 70660531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).