(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C25H40OSi — CID 87556260

About (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 87556260) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

• Compound Name: (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• PubChem CID: 87556260
• Molecular Formula: C25H40OSi
• Molecular Weight: 384.68 g/mol
• Exact Mass: 384.28
• IUPAC Name: (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• SMILES: CC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1OC)C1C(C)=C(C)C(C)=C1C
• InChI: InChI=1S/C25H40OSi/c1-12-27(13-2,24-19(6)17(4)18(5)20(24)7)22-15-16(3)14-21(23(22)26-11)25(8,9)10/h14-15,24H,12-13H2,1-11H3
• InChIKey: ZGCLEEQFGUPPAZ-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.68
LogP ≤ 5	7.05
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 (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 87556260) is (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1OC)C1C(C)=C(C)C(C)=C1C.

What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The InChIKey is ZGCLEEQFGUPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi/c1-12-27(13-2,24-19(6)17(4)18(5)20(24)7)22-15-16(3)14-21(23(22)26-11)25(8,9)10/h14-15,24H,12-13H2,1-11H3.

What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?

(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 384.68 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 87556260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).