[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)

C48H78Cl2SiZr — CID 162292582

About [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)

[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162292582) has the molecular formula C48H78Cl2SiZr and a molecular weight of 845.37 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162292582
• Molecular Formula: C48H78Cl2SiZr
• Molecular Weight: 845.37 g/mol
• Exact Mass: 842.43
• IUPAC Name: [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: CC[Si](CC)(C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)CCCC21)C1C(C(C)C)CC2C(c3ccc(C(C)(C)C)cc3)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C46H72Si.2CH3.2ClH.Zr/c1-12-47(13-2,43-31(5)28-41-36(16-14-18-38(41)43)32-20-24-34(25-21-32)45(6,7)8)44-39-19-15-17-37(42(39)29-40(44)30(3)4)33-22-26-35(27-23-33)46(9,10)11;;;;;/h20-27,30-31,36-44H,12-19,28-29H2,1-11H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: LJBACSCXYQPLBS-UHFFFAOYSA-L
• XLogP: 16.20
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.37
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+) (CID 162292582) is [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+).

What is the SMILES notation for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)?

The canonical SMILES for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+) is CC[Si](CC)(C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)CCCC21)C1C(C(C)C)CC2C(c3ccc(C(C)(C)C)cc3)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)?

The InChIKey is LJBACSCXYQPLBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C46H72Si.2CH3.2ClH.Zr/c1-12-47(13-2,43-31(5)28-41-36(16-14-18-38(41)43)32-20-24-34(25-21-32)45(6,7)8)44-39-19-15-17-37(42(39)29-40(44)30(3)4)33-22-26-35(27-23-33)46(9,10)11;;;;;/h20-27,30-31,36-44H,12-19,28-29H2,1-11H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

What are the key properties of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)?

[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 845.37 g/mol, XLogP of 16.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162292582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).