4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride

C54H70Cl2OSiZr-2 — CID 172680927

About 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride

4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride (PubChem CID 172680927) has the molecular formula C54H70Cl2OSiZr-2 and a molecular weight of 925.37 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride.

Molecular Properties

• Compound Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride
• PubChem CID: 172680927
• Molecular Formula: C54H70Cl2OSiZr-2
• Molecular Weight: 925.37 g/mol
• Exact Mass: 922.36
• IUPAC Name: 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride
• SMILES: C[Si](=[Zr+2])CCCCCCOC(C)(C)C.Cc1cc2c(-c3ccc(C(C)(C)C)cc3)c3c(cc2[cH-]1)CCC3.Cc1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.[Cl-].[Cl-]
• InChI: InChI=1S/C23H25.C20H21.C11H24OSi.2ClH.Zr/c1-15-12-18-14-17-6-5-7-20(17)22(21(18)13-15)16-8-10-19(11-9-16)23(2,3)4;1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4;1-11(2,3)12-9-7-5-6-8-10-13-4;;;/h8-14H,5-7H2,1-4H3;5-13H,1-4H3;5-10H2,1-4H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: KAZZMWXOCVJKSB-UHFFFAOYSA-L
• XLogP: 9.69
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.37
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride?

The IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride (CID 172680927) is 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride.

What is the SMILES notation for 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride?

The canonical SMILES for 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride is C[Si](=[Zr+2])CCCCCCOC(C)(C)C.Cc1cc2c(-c3ccc(C(C)(C)C)cc3)c3c(cc2[cH-]1)CCC3.Cc1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.[Cl-].[Cl-].

What is the InChIKey of 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride?

The InChIKey is KAZZMWXOCVJKSB-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H25.C20H21.C11H24OSi.2ClH.Zr/c1-15-12-18-14-17-6-5-7-20(17)22(21(18)13-15)16-8-10-19(11-9-16)23(2,3)4;1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4;1-11(2,3)12-9-7-5-6-8-10-13-4;;;/h8-14H,5-7H2,1-4H3;5-13H,1-4H3;5-10H2,1-4H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride?

4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride has a molecular weight of 925.37 g/mol, XLogP of 9.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride is sourced from PubChem (CID 172680927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).