[2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

C28H38Si4 — CID 15784010

About [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

[2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 15784010) has the molecular formula C28H38Si4 and a molecular weight of 486.96 g/mol. Its IUPAC name is [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
• PubChem CID: 15784010
• Molecular Formula: C28H38Si4
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.21
• IUPAC Name: [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
• SMILES: C#CC1=C([Si](C)(C)C)C(C#CC#CC2=C([Si](C)(C)C)C(C#C)=C2[Si](C)(C)C)=C1[Si](C)(C)C
• InChI: InChI=1S/C28H38Si4/c1-15-21-25(29(3,4)5)23(26(21)30(6,7)8)19-17-18-20-24-27(31(9,10)11)22(16-2)28(24)32(12,13)14/h1-2H,3-14H3
• InChIKey: NLQNSJWGKBGIQN-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	6.98
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 [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The IUPAC name of [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (CID 15784010) is [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.

What is the SMILES notation for [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The canonical SMILES for [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is C#CC1=C([Si](C)(C)C)C(C#CC#CC2=C([Si](C)(C)C)C(C#C)=C2[Si](C)(C)C)=C1[Si](C)(C)C.

What is the InChIKey of [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

The InChIKey is NLQNSJWGKBGIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38Si4/c1-15-21-25(29(3,4)5)23(26(21)30(6,7)8)19-17-18-20-24-27(31(9,10)11)22(16-2)28(24)32(12,13)14/h1-2H,3-14H3.

What are the key properties of [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?

[2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethynyl-4-[4-[3-ethynyl-2,4-bis(trimethylsilyl)cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 15784010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).