triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane

C37H80O9S2Si3 — CID 59408009

IUPACtriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCO[Si](CCCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C37H80O9S2Si3/c1-10-38-49(39-11-2,40-12-3)31-22-20-19-21-24-36-26-25-35(28-33-51(44-16-7,45-17-8)46-18-9)34-37(36)27-30-48(47)29-23-32-50(41-13-4,42-14-5)43-15-6/h35-37H,10-34H2,1-9H3
InChIKeyWEVQSFAVTWUDGQ-UHFFFAOYSA-N
MW817.43 g/mol
LogP9.37
Rot. Bonds35

About triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane

triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane (PubChem CID 59408009) has the molecular formula C37H80O9S2Si3 and a molecular weight of 817.43 g/mol. Its IUPAC name is triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane
PubChem CID59408009
Molecular FormulaC37H80O9S2Si3
Molecular Weight817.43 g/mol
Exact Mass816.46
IUPAC Nametriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCO[Si](CCCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C37H80O9S2Si3/c1-10-38-49(39-11-2,40-12-3)31-22-20-19-21-24-36-26-25-35(28-33-51(44-16-7,45-17-8)46-18-9)34-37(36)27-30-48(47)29-23-32-50(41-13-4,42-14-5)43-15-6/h35-37H,10-34H2,1-9H3
InChIKeyWEVQSFAVTWUDGQ-UHFFFAOYSA-N
XLogP9.37
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.43
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane (CID 59408009) is triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane is CCO[Si](CCCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane?
The InChIKey is WEVQSFAVTWUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H80O9S2Si3/c1-10-38-49(39-11-2,40-12-3)31-22-20-19-21-24-36-26-25-35(28-33-51(44-16-7,45-17-8)46-18-9)34-37(36)27-30-48(47)29-23-32-50(41-13-4,42-14-5)43-15-6/h35-37H,10-34H2,1-9H3.
What are the key properties of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane?
triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane has a molecular weight of 817.43 g/mol, XLogP of 9.37, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-(6-triethoxysilylhexyl)cyclohexyl]ethylsulfinothioyl]propyl]silane is sourced from PubChem (CID 59408009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).