dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride

C26H32ClGeZr-3 — CID 172777953

IUPACdimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Ge](C)=[Zr].[Cl-]
InChIInChI=1S/2C12H13.C2H6Ge.ClH.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;;/h2*3-9H,1-2H3;1-2H3;1H;/q2*-1;;;/p-1
InChIKeyHLRACKRDMNFPJY-UHFFFAOYSA-M
MW543.83 g/mol
LogP5.15
Rot. Bonds2

About dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride

dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride (PubChem CID 172777953) has the molecular formula C26H32ClGeZr-3 and a molecular weight of 543.83 g/mol. Its IUPAC name is dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride.

Molecular Properties

Compound Namedimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride
PubChem CID172777953
Molecular FormulaC26H32ClGeZr-3
Molecular Weight543.83 g/mol
Exact Mass543.05
IUPAC Namedimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Ge](C)=[Zr].[Cl-]
InChIInChI=1S/2C12H13.C2H6Ge.ClH.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;;/h2*3-9H,1-2H3;1-2H3;1H;/q2*-1;;;/p-1
InChIKeyHLRACKRDMNFPJY-UHFFFAOYSA-M
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.83
LogP ≤ 55.15
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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Related Compounds

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bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
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CID 151781953
CID 151781953
2-[1-(1H-inden-1-id-2-yl)propan-2-yl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 18544764
2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
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bis(1H-inden-1-id-2-yl-di(propan-2-yl)phosphane);titanium(4+);dichloride
CID 21096564
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414

Frequently Asked Questions

What is the IUPAC name of dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride?
The IUPAC name of dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride (CID 172777953) is dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride.
What is the SMILES notation for dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride?
The canonical SMILES for dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride is CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.C[Ge](C)=[Zr].[Cl-].
What is the InChIKey of dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride?
The InChIKey is HLRACKRDMNFPJY-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H13.C2H6Ge.ClH.Zr/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-3-2;;/h2*3-9H,1-2H3;1-2H3;1H;/q2*-1;;;/p-1.
What are the key properties of dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride?
dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride has a molecular weight of 543.83 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride is sourced from PubChem (CID 172777953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).