hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride

C24H26Cl2Hf — CID 161453057

IUPAChafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H13.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMXOBVJQZVPIRHF-UHFFFAOYSA-L
MW563.87 g/mol
LogP1.37
Rot. Bonds2

About hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride

hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride (PubChem CID 161453057) has the molecular formula C24H26Cl2Hf and a molecular weight of 563.87 g/mol. Its IUPAC name is hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
PubChem CID161453057
Molecular FormulaC24H26Cl2Hf
Molecular Weight563.87 g/mol
Exact Mass564.09
IUPAC Namehafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H13.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMXOBVJQZVPIRHF-UHFFFAOYSA-L
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.87
LogP ≤ 51.37
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

2-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 87958358
dimethylgermylidenezirconium;bis(2-propan-2-yl-1H-inden-1-ide);chloride
CID 172777953
bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 21261068
CID 151781953
CID 151781953
2-[1-(1H-inden-1-id-2-yl)propan-2-yl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 18544764
CID 157447863
CID 157447863
2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172831665
bis(1H-inden-1-id-2-yl-di(propan-2-yl)phosphane);titanium(4+);dichloride
CID 21096564
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
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);titanium(4+);dichloride
CID 87828810

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The IUPAC name of hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride (CID 161453057) is hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride.
What is the SMILES notation for hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The canonical SMILES for hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride is CC(C)c1cc2ccccc2[cH-]1.CC(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride?
The InChIKey is MXOBVJQZVPIRHF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H13.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride?
hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride has a molecular weight of 563.87 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 161453057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).