[2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane

C22H36OSi — CID 141023547

About [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane

[2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (PubChem CID 141023547) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
• PubChem CID: 141023547
• Molecular Formula: C22H36OSi
• Molecular Weight: 344.62 g/mol
• Exact Mass: 344.25
• IUPAC Name: [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
• SMILES: CC1=CCC(O[Si](C)(C)C)(C(C)(C)C2=CC=CC2)C(C(C)(C)C)=C1
• InChI: InChI=1S/C22H36OSi/c1-17-14-15-22(23-24(7,8)9,19(16-17)20(2,3)4)21(5,6)18-12-10-11-13-18/h10-12,14,16H,13,15H2,1-9H3
• InChIKey: QAFHRSFQPHZDCS-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.62
LogP ≤ 5	6.81
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 [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?

The IUPAC name of [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (CID 141023547) is [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane.

What is the SMILES notation for [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?

The canonical SMILES for [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is CC1=CCC(O[Si](C)(C)C)(C(C)(C)C2=CC=CC2)C(C(C)(C)C)=C1.

What is the InChIKey of [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?

The InChIKey is QAFHRSFQPHZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36OSi/c1-17-14-15-22(23-24(7,8)9,19(16-17)20(2,3)4)21(5,6)18-12-10-11-13-18/h10-12,14,16H,13,15H2,1-9H3.

What are the key properties of [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?

[2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2-tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 141023547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).