(3-tert-butyl-1H-inden-1-yl)-trimethylsilane

C₁₆H₂₄Si — CID 134888721

About (3-tert-butyl-1H-inden-1-yl)-trimethylsilane

(3-tert-butyl-1H-inden-1-yl)-trimethylsilane (PubChem CID 134888721) has the molecular formula C₁₆H₂₄Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3-tert-butyl-1H-inden-1-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (3-tert-butyl-1H-inden-1-yl)-trimethylsilane
• PubChem CID: 134888721
• Molecular Formula: C₁₆H₂₄Si
• Molecular Weight: 244.45 g/mol
• Exact Mass: 244.16
• IUPAC Name: (3-tert-butyl-1H-inden-1-yl)-trimethylsilane
• SMILES: CC(C)(C)C1=CC([Si](C)(C)C)c2ccccc21
• InChI: InChI=1S/C16H24Si/c1-16(2,3)14-11-15(17(4,5)6)13-10-8-7-9-12(13)14/h7-11,15H,1-6H3
• InChIKey: JVXWDGKGCNZPOF-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	244.45
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1H-inden-1-yl)-trimethylsilane?

The IUPAC name of (3-tert-butyl-1H-inden-1-yl)-trimethylsilane (CID 134888721) is (3-tert-butyl-1H-inden-1-yl)-trimethylsilane.

What is the SMILES notation for (3-tert-butyl-1H-inden-1-yl)-trimethylsilane?

The canonical SMILES for (3-tert-butyl-1H-inden-1-yl)-trimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C)c2ccccc21.

What is the InChIKey of (3-tert-butyl-1H-inden-1-yl)-trimethylsilane?

The InChIKey is JVXWDGKGCNZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-16(2,3)14-11-15(17(4,5)6)13-10-8-7-9-12(13)14/h7-11,15H,1-6H3.

What are the key properties of (3-tert-butyl-1H-inden-1-yl)-trimethylsilane?

(3-tert-butyl-1H-inden-1-yl)-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-tert-butyl-1H-inden-1-yl)-trimethylsilane is sourced from PubChem (CID 134888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134888721 — identifiers, structure, computed properties (public domain)

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