propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

C21H32Cl2Hf-2 — CID 159530182

IUPACpropan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESCC(C)=[Hf+2].Cc1c[c-](C)c(C)c1C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-]
InChIInChI=1S/2C9H13.C3H6.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWECLQOOPKZVJDK-UHFFFAOYSA-L
MW533.88 g/mol
LogP0.03
Rot. Bonds

About propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride

propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (PubChem CID 159530182) has the molecular formula C21H32Cl2Hf-2 and a molecular weight of 533.88 g/mol. Its IUPAC name is propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namepropan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
PubChem CID159530182
Molecular FormulaC21H32Cl2Hf-2
Molecular Weight533.88 g/mol
Exact Mass534.14
IUPAC Namepropan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
SMILESCC(C)=[Hf+2].Cc1c[c-](C)c(C)c1C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-]
InChIInChI=1S/2C9H13.C3H6.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWECLQOOPKZVJDK-UHFFFAOYSA-L
XLogP0.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.88
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87907692
sodium 1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 86585831
dimethylsilane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 158418409
dichlorozirconium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 12977416
azanide;benzene;dimethylgermane;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 157409765
CID 159030266
CID 159030266
CID 173055569
CID 173055569
5-butylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159101421
hafnium;5-propylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 154431533
ethylidenetitanium(2+);1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 158696058
CID 173020150
CID 173020150
3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 175756719

Frequently Asked Questions

What is the IUPAC name of propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride (CID 159530182) is propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is CC(C)=[Hf+2].Cc1c[c-](C)c(C)c1C.Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].
What is the InChIKey of propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
The InChIKey is WECLQOOPKZVJDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C3H6.2ClH.Hf/c2*1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2*5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride?
propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride has a molecular weight of 533.88 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 159530182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).