Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane

C₁₈H₃₀Si₂ — CID 154721354

About Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane

Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane (PubChem CID 154721354) has the molecular formula C₁₈H₃₀Si₂ and a molecular weight of 302.61 g/mol. Its IUPAC name is trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane.

Molecular Properties

• Compound Name: Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
• PubChem CID: 154721354
• Molecular Formula: C₁₈H₃₀Si₂
• Molecular Weight: 302.61 g/mol
• Exact Mass: 302.19
• IUPAC Name: trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
• SMILES: CC(C)=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C)C
• InChI: InChI=1S/C18H30Si2/c1-15(2)17(11-13-19(5,6)7)18(16(3)4)12-14-20(8,9)10/h1-10H3
• InChIKey: LIARLWFOQXEYJI-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	302.61
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?

The IUPAC name of Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane (CID 154721354) is trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane.

What is the SMILES notation for Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?

The canonical SMILES for Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane is CC(C)=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C)C.

What is the InChIKey of Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?

The InChIKey is LIARLWFOQXEYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Si2/c1-15(2)17(11-13-19(5,6)7)18(16(3)4)12-14-20(8,9)10/h1-10H3.

What are the key properties of Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?

Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane has a molecular weight of 302.61 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane is sourced from PubChem (CID 154721354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154721354 — identifiers, structure, computed properties (public domain)

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