tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane

C54H114OSi2 — CID 22223391

IUPACtris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane
SMILESCCC(C)CC(CC)C[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)O[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)CC(CC)CC(C)CC
InChIInChI=1S/C54H114OSi2/c1-19-43(13)31-49(25-7)37-56(38-50(26-8)32-44(14)20-2,39-51(27-9)33-45(15)21-3)55-57(40-52(28-10)34-46(16)22-4,41-53(29-11)35-47(17)23-5)42-54(30-12)36-48(18)24-6/h43-54H,19-42H2,1-18H3
InChIKeyZAGXLQIHXTXRFW-UHFFFAOYSA-N
MW835.68 g/mol
LogP19.67
Rot. Bonds38

About tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane

tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane (PubChem CID 22223391) has the molecular formula C54H114OSi2 and a molecular weight of 835.68 g/mol. Its IUPAC name is tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane.

Molecular Properties

Compound Nametris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane
PubChem CID22223391
Molecular FormulaC54H114OSi2
Molecular Weight835.68 g/mol
Exact Mass834.84
IUPAC Nametris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane
SMILESCCC(C)CC(CC)C[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)O[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)CC(CC)CC(C)CC
InChIInChI=1S/C54H114OSi2/c1-19-43(13)31-49(25-7)37-56(38-50(26-8)32-44(14)20-2,39-51(27-9)33-45(15)21-3)55-57(40-52(28-10)34-46(16)22-4,41-53(29-11)35-47(17)23-5)42-54(30-12)36-48(18)24-6/h43-54H,19-42H2,1-18H3
InChIKeyZAGXLQIHXTXRFW-UHFFFAOYSA-N
XLogP19.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.68
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane?
The IUPAC name of tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane (CID 22223391) is tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane.
What is the SMILES notation for tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane?
The canonical SMILES for tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane is CCC(C)CC(CC)C[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)O[Si](CC(CC)CC(C)CC)(CC(CC)CC(C)CC)CC(CC)CC(C)CC.
What is the InChIKey of tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane?
The InChIKey is ZAGXLQIHXTXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H114OSi2/c1-19-43(13)31-49(25-7)37-56(38-50(26-8)32-44(14)20-2,39-51(27-9)33-45(15)21-3)55-57(40-52(28-10)34-46(16)22-4,41-53(29-11)35-47(17)23-5)42-54(30-12)36-48(18)24-6/h43-54H,19-42H2,1-18H3.
What are the key properties of tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane?
tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane has a molecular weight of 835.68 g/mol, XLogP of 19.67, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethyl-4-methylhexyl)-tris(2-ethyl-4-methylhexyl)silyloxysilane is sourced from PubChem (CID 22223391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).