Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane

C₂₂H₂₂SSi — CID 155796726

About Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane

Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane (PubChem CID 155796726) has the molecular formula C₂₂H₂₂SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane.

Molecular Properties

• Compound Name: Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane
• PubChem CID: 155796726
• Molecular Formula: C₂₂H₂₂SSi
• Molecular Weight: 346.57 g/mol
• Exact Mass: 346.12
• IUPAC Name: cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane
• SMILES: Cc1ccc(-c2ccccc3c([Si](C)(C)C4C=CC=C4)ccc2-3)s1
• InChI: InChI=1S/C22H22SSi/c1-16-12-14-21(23-16)19-10-6-7-11-20-18(19)13-15-22(20)24(2,3)17-8-4-5-9-17/h4-15,17H,1-3H3
• InChIKey: JYEPTUVPQDGQDL-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.57
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?

The IUPAC name of Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane (CID 155796726) is cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane.

What is the SMILES notation for Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?

The canonical SMILES for Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane is Cc1ccc(-c2ccccc3c([Si](C)(C)C4C=CC=C4)ccc2-3)s1.

What is the InChIKey of Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?

The InChIKey is JYEPTUVPQDGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22SSi/c1-16-12-14-21(23-16)19-10-6-7-11-20-18(19)13-15-22(20)24(2,3)17-8-4-5-9-17/h4-15,17H,1-3H3.

What are the key properties of Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?

Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane has a molecular weight of 346.57 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane is sourced from PubChem (CID 155796726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155796726 — identifiers, structure, computed properties (public domain)

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