[1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+)

C28H58Cl2Si3Zr — CID 162298627

About [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+)

[1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162298627) has the molecular formula C28H58Cl2Si3Zr and a molecular weight of 641.16 g/mol. Its IUPAC name is [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162298627
• Molecular Formula: C28H58Cl2Si3Zr
• Molecular Weight: 641.16 g/mol
• Exact Mass: 638.23
• IUPAC Name: [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: CCCCC1CCC([SiH](C)[SiH](C)C2CCC3C2CC2CCCC2C3[Si](C)(C)C)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C26H52Si3.2CH3.2ClH.Zr/c1-7-8-10-19-13-14-21(17-19)27(2)28(3)25-16-15-23-24(25)18-20-11-9-12-22(20)26(23)29(4,5)6;;;;;/h19-28H,7-18H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: KIEOTQURNPVHBF-UHFFFAOYSA-L
• XLogP: 10.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.16
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 [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+) (CID 162298627) is [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+).

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

The canonical SMILES for [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+) is CCCCC1CCC([SiH](C)[SiH](C)C2CCC3C2CC2CCCC2C3[Si](C)(C)C)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].

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

The InChIKey is KIEOTQURNPVHBF-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H52Si3.2CH3.2ClH.Zr/c1-7-8-10-19-13-14-21(17-19)27(2)28(3)25-16-15-23-24(25)18-20-11-9-12-22(20)26(23)29(4,5)6;;;;;/h19-28H,7-18H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

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

[1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 641.16 g/mol, XLogP of 10.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(3-butylcyclopentyl)-methylsilyl]-methylsilyl]-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-4-yl]-trimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162298627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).