1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium

C20H30O3PdSi — CID 134851040

About 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium

1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium (PubChem CID 134851040) has the molecular formula C20H30O3PdSi and a molecular weight of 452.96 g/mol. Its IUPAC name is 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium.

Molecular Properties

• Compound Name: 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium
• PubChem CID: 134851040
• Molecular Formula: C20H30O3PdSi
• Molecular Weight: 452.96 g/mol
• Exact Mass: 452.10
• IUPAC Name: 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium
• SMILES: CC(=O)[CH-]C1C=C2COCC2=C2[C+]1CCC2O[Si](C)(C)C(C)(C)C.[Pd]
• InChI: InChI=1S/C20H30O3Si.Pd/c1-13(21)9-14-10-15-11-22-12-17(15)19-16(14)7-8-18(19)23-24(5,6)20(2,3)4;/h9-10,14,18H,7-8,11-12H2,1-6H3
• InChIKey: BEDOQJWHCQDSIS-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.96
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium?

The IUPAC name of 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium (CID 134851040) is 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium.

What is the SMILES notation for 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium?

The canonical SMILES for 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium is CC(=O)[CH-]C1C=C2COCC2=C2[C+]1CCC2O[Si](C)(C)C(C)(C)C.[Pd].

What is the InChIKey of 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium?

The InChIKey is BEDOQJWHCQDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si.Pd/c1-13(21)9-14-10-15-11-22-12-17(15)19-16(14)7-8-18(19)23-24(5,6)20(2,3)4;/h9-10,14,18H,7-8,11-12H2,1-6H3;.

What are the key properties of 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium?

1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium has a molecular weight of 452.96 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[tert-butyl(dimethyl)silyl]oxy-1,3,5,6,7,8-hexahydrocyclopenta[e][2]benzofuran-5a-ylium-5-yl]propan-2-one;palladium is sourced from PubChem (CID 134851040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).