4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane

C34H44Si2 — CID 12011032

About 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane

4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane (PubChem CID 12011032) has the molecular formula C34H44Si2 and a molecular weight of 508.90 g/mol. Its IUPAC name is 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane
• PubChem CID: 12011032
• Molecular Formula: C34H44Si2
• Molecular Weight: 508.90 g/mol
• Exact Mass: 508.30
• IUPAC Name: 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane
• SMILES: C#CC1=C(C#C)C(C#CC#C[Si](C(C)C)(C(C)C)C(C)C)=C1C#CC#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H44Si2/c1-15-31-32(16-2)34(22-18-20-24-36(28(9)10,29(11)12)30(13)14)33(31)21-17-19-23-35(25(3)4,26(5)6)27(7)8/h1-2,25-30H,3-14H3
• InChIKey: MEWYZJIGHMDDAR-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.90
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane?

The IUPAC name of 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane (CID 12011032) is 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane.

What is the SMILES notation for 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane?

The canonical SMILES for 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane is C#CC1=C(C#C)C(C#CC#C[Si](C(C)C)(C(C)C)C(C)C)=C1C#CC#C[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane?

The InChIKey is MEWYZJIGHMDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Si2/c1-15-31-32(16-2)34(22-18-20-24-36(28(9)10,29(11)12)30(13)14)33(31)21-17-19-23-35(25(3)4,26(5)6)27(7)8/h1-2,25-30H,3-14H3.

What are the key properties of 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane?

4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane has a molecular weight of 508.90 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,4-diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 12011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).