2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride

C21H28Cl2GeZr-2 — CID 21261315

IUPAC2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
SMILESCC(C)(C)C1=CC[C-]=C1.C[Ge](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C9H13.C2H6Ge.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2-7H,1H3;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHRCXBEQHFFETSD-UHFFFAOYSA-L
MW515.20 g/mol
LogP0.38
Rot. Bonds

About 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride

2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride (PubChem CID 21261315) has the molecular formula C21H28Cl2GeZr-2 and a molecular weight of 515.20 g/mol. Its IUPAC name is 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Name2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
PubChem CID21261315
Molecular FormulaC21H28Cl2GeZr-2
Molecular Weight515.20 g/mol
Exact Mass513.98
IUPAC Name2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
SMILESCC(C)(C)C1=CC[C-]=C1.C[Ge](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C9H13.C2H6Ge.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2-7H,1H3;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHRCXBEQHFFETSD-UHFFFAOYSA-L
XLogP0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride (CID 21261315) is 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride is CC(C)(C)C1=CC[C-]=C1.C[Ge](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
The InChIKey is HRCXBEQHFFETSD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C9H13.C2H6Ge.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2-7H,1H3;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride?
2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride has a molecular weight of 515.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 21261315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).