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

C45H72Cl2SiZr — CID 162292585

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

[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) (PubChem CID 162292585) has the molecular formula C45H72Cl2SiZr and a molecular weight of 803.29 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162292585
• Molecular Formula: C45H72Cl2SiZr
• Molecular Weight: 803.29 g/mol
• Exact Mass: 800.38
• IUPAC Name: [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
• SMILES: CC[Si](CC)(C1C(C)CC2C(c3ccc(C)cc3)CCCC21)C1C(C(C)C)CC2C(c3ccc(C(C)(C)C)cc3)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C43H66Si.2CH3.2ClH.Zr/c1-10-44(11-2,41-30(6)26-39-34(14-12-16-36(39)41)31-20-18-29(5)19-21-31)42-37-17-13-15-35(40(37)27-38(42)28(3)4)32-22-24-33(25-23-32)43(7,8)9;;;;;/h18-25,28,30,34-42H,10-17,26-27H2,1-9H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: JXTKVRZVONRCET-UHFFFAOYSA-L
• XLogP: 15.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.29
LogP ≤ 5	15.21
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-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?

The IUPAC name of [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) (CID 162292585) is [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+).

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

The canonical SMILES for [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) is CC[Si](CC)(C1C(C)CC2C(c3ccc(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-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)?

The InChIKey is JXTKVRZVONRCET-UHFFFAOYSA-L. The full InChI is InChI=1S/C43H66Si.2CH3.2ClH.Zr/c1-10-44(11-2,41-30(6)26-39-34(14-12-16-36(39)41)31-20-18-29(5)19-21-31)42-37-17-13-15-35(40(37)27-38(42)28(3)4)32-22-24-33(25-23-32)43(7,8)9;;;;;/h18-25,28,30,34-42H,10-17,26-27H2,1-9H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

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

[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) has a molecular weight of 803.29 g/mol, XLogP of 15.21, 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-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162292585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).