carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane

C27H50Cl2S2Si2Zr — CID 162298318

About carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane

carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane (PubChem CID 162298318) has the molecular formula C27H50Cl2S2Si2Zr and a molecular weight of 657.13 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane.

Molecular Properties

• Compound Name: carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane
• PubChem CID: 162298318
• Molecular Formula: C27H50Cl2S2Si2Zr
• Molecular Weight: 657.13 g/mol
• Exact Mass: 654.13
• IUPAC Name: carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane
• SMILES: CC1CC(C)C(C(C)(C)C2C3SC([Si](C)(C)C)=CC3C3C=C([Si](C)(C)C)SC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C25H44S2Si2.2CH3.2ClH.Zr/c1-15-11-16(2)19(12-15)25(3,4)22-23-17(13-20(26-23)28(5,6)7)18-14-21(27-24(18)22)29(8,9)10;;;;;/h13-19,22-24H,11-12H2,1-10H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: LMMGWJNXNJATDM-UHFFFAOYSA-L
• XLogP: 10.59
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.13
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane?

The IUPAC name of carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane (CID 162298318) is carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane.

What is the SMILES notation for carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane?

The canonical SMILES for carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane is CC1CC(C)C(C(C)(C)C2C3SC([Si](C)(C)C)=CC3C3C=C([Si](C)(C)C)SC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane?

The InChIKey is LMMGWJNXNJATDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H44S2Si2.2CH3.2ClH.Zr/c1-15-11-16(2)19(12-15)25(3,4)22-23-17(13-20(26-23)28(5,6)7)18-14-21(27-24(18)22)29(8,9)10;;;;;/h13-19,22-24H,11-12H2,1-10H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

What are the key properties of carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane?

carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane has a molecular weight of 657.13 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;dichlorozirconium(2+);[7-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-10-trimethylsilyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-4-yl]-trimethylsilane is sourced from PubChem (CID 162298318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).