dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride

C22H28Cl2GeZr-2 — CID 21261252

About dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride

dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride (PubChem CID 21261252) has the molecular formula C22H28Cl2GeZr-2 and a molecular weight of 527.21 g/mol. Its IUPAC name is dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

• Compound Name: dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride
• PubChem CID: 21261252
• Molecular Formula: C22H28Cl2GeZr-2
• Molecular Weight: 527.21 g/mol
• Exact Mass: 525.98
• IUPAC Name: dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride
• SMILES: CC1=[C-]C(C)C=C1C.CC1=[C-]CC(c2ccccc2)=C1.C[Ge](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/C12H11.C8H11.C2H6Ge.2ClH.Zr/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-6-4-7(2)8(3)5-6;1-3-2;;;/h2-6,9H,8H2,1H3;4,6H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: XFEAUWVXNDSICZ-UHFFFAOYSA-L
• XLogP: 0.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.21
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride?

The IUPAC name of dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride (CID 21261252) is dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride.

What is the SMILES notation for dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride?

The canonical SMILES for dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride is CC1=[C-]C(C)C=C1C.CC1=[C-]CC(c2ccccc2)=C1.C[Ge](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride?

The InChIKey is XFEAUWVXNDSICZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H11.C8H11.C2H6Ge.2ClH.Zr/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-6-4-7(2)8(3)5-6;1-3-2;;;/h2-6,9H,8H2,1H3;4,6H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride?

dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride has a molecular weight of 527.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 21261252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).