tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane

C68H96O4Si4 — CID 12036890

IUPACtri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
SMILESCOC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#C1
InChIInChI=1S/C68H96O4Si4/c1-53(2)73(54(3)4,55(5)6)49-45-65(69-25)37-29-31-39-66(70-26,46-50-74(56(7)8,57(9)10)58(11)12)41-33-35-43-68(72-28,48-52-76(62(19)20,63(21)22)64(23)24)44-36-34-42-67(71-27,40-32-30-38-65)47-51-75(59(13)14,60(15)16)61(17)18/h53-64H,1-28H3
InChIKeyMAMLWUITUQOFTI-UHFFFAOYSA-N
MW1089.86 g/mol
LogP14.45
Rot. Bonds16

About tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane

tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane (PubChem CID 12036890) has the molecular formula C68H96O4Si4 and a molecular weight of 1089.86 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
PubChem CID12036890
Molecular FormulaC68H96O4Si4
Molecular Weight1089.86 g/mol
Exact Mass1088.64
IUPAC Nametri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
SMILESCOC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#C1
InChIInChI=1S/C68H96O4Si4/c1-53(2)73(54(3)4,55(5)6)49-45-65(69-25)37-29-31-39-66(70-26,46-50-74(56(7)8,57(9)10)58(11)12)41-33-35-43-68(72-28,48-52-76(62(19)20,63(21)22)64(23)24)44-36-34-42-67(71-27,40-32-30-38-65)47-51-75(59(13)14,60(15)16)61(17)18/h53-64H,1-28H3
InChIKeyMAMLWUITUQOFTI-UHFFFAOYSA-N
XLogP14.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.86
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane (CID 12036890) is tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane is COC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)(OC)C#CC#C1.
What is the InChIKey of tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane?
The InChIKey is MAMLWUITUQOFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H96O4Si4/c1-53(2)73(54(3)4,55(5)6)49-45-65(69-25)37-29-31-39-66(70-26,46-50-74(56(7)8,57(9)10)58(11)12)41-33-35-43-68(72-28,48-52-76(62(19)20,63(21)22)64(23)24)44-36-34-42-67(71-27,40-32-30-38-65)47-51-75(59(13)14,60(15)16)61(17)18/h53-64H,1-28H3.
What are the key properties of tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane has a molecular weight of 1089.86 g/mol, XLogP of 14.45, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane is sourced from PubChem (CID 12036890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).