(3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)

C28H58Si2Zr — CID 162298103

About (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)

(3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+) (PubChem CID 162298103) has the molecular formula C28H58Si2Zr and a molecular weight of 542.17 g/mol. Its IUPAC name is (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+).

Molecular Properties

• Compound Name: (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)
• PubChem CID: 162298103
• Molecular Formula: C28H58Si2Zr
• Molecular Weight: 542.17 g/mol
• Exact Mass: 540.31
• IUPAC Name: (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)
• SMILES: CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3CC4CCCC4CC32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
• InChI: InChI=1S/C24H46Si2.4CH3.Zr/c1-5-6-8-18-11-12-22(14-18)25(3)26(4)24-17(2)13-21-15-19-9-7-10-20(19)16-23(21)24;;;;;/h17-26H,5-16H2,1-4H3;4*1H3;/q;4*-1;+4
• InChIKey: RSXIMTDJVGKFSZ-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.17
LogP ≤ 5	8.79
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)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)?

The IUPAC name of (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+) (CID 162298103) is (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+).

What is the SMILES notation for (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)?

The canonical SMILES for (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+) is CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3CC4CCCC4CC32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].

What is the InChIKey of (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)?

The InChIKey is RSXIMTDJVGKFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46Si2.4CH3.Zr/c1-5-6-8-18-11-12-22(14-18)25(3)26(4)24-17(2)13-21-15-19-9-7-10-20(19)16-23(21)24;;;;;/h17-26H,5-16H2,1-4H3;4*1H3;/q;4*-1;+4.

What are the key properties of (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+)?

(3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+) has a molecular weight of 542.17 g/mol, XLogP of 8.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butylcyclopentyl)-methyl-[methyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]silane;carbanide;zirconium(4+) is sourced from PubChem (CID 162298103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).