(3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)

C25H52Cl2Si2Zr — CID 162291217

About (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)

(3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162291217) has the molecular formula C25H52Cl2Si2Zr and a molecular weight of 570.99 g/mol. Its IUPAC name is (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162291217
• Molecular Formula: C25H52Cl2Si2Zr
• Molecular Weight: 570.99 g/mol
• Exact Mass: 568.20
• IUPAC Name: (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(C)CCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C23H46Si2.2CH3.2ClH.Zr/c1-7-8-11-19-13-14-20(17-19)24(3,4)25(5,6)23-16-15-21-18(2)10-9-12-22(21)23;;;;;/h18-23H,7-17H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: NJXMWCBYHZWAOI-UHFFFAOYSA-L
• XLogP: 10.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.99
LogP ≤ 5	10.34
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 (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162291217) is (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+).

What is the SMILES notation for (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The canonical SMILES for (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) is CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(C)CCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The InChIKey is NJXMWCBYHZWAOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H46Si2.2CH3.2ClH.Zr/c1-7-8-11-19-13-14-20(17-19)24(3,4)25(5,6)23-16-15-21-18(2)10-9-12-22(21)23;;;;;/h18-23H,7-17H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

What are the key properties of (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

(3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 570.99 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162291217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).