bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride

C20H30Cl2Hf — CID 174428648

IUPACbis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride
SMILESC=C.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C9H13.C2H4.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-2;;;/h2*6-7H,4H2,1-3H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCQZGCJPKSHHUPG-UHFFFAOYSA-L
MW519.86 g/mol
LogP0.25
Rot. Bonds

About bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride

bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride (PubChem CID 174428648) has the molecular formula C20H30Cl2Hf and a molecular weight of 519.86 g/mol. Its IUPAC name is bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride.

Molecular Properties

Compound Namebis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride
PubChem CID174428648
Molecular FormulaC20H30Cl2Hf
Molecular Weight519.86 g/mol
Exact Mass520.12
IUPAC Namebis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride
SMILESC=C.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C9H13.C2H4.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-2;;;/h2*6-7H,4H2,1-3H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCQZGCJPKSHHUPG-UHFFFAOYSA-L
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.86
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);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

bis(2-tert-butylcyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
CID 22617529
bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride
CID 173283747
bis(2-tert-butylcyclopenta-1,3-diene);propan-2-ylidenezirconium(2+);difluoride
CID 87532027
tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride
CID 21261498
2-tert-butylcyclopenta-1,3-diene;carbanide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173108972
2-tert-butylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride
CID 87933007
CID 173157680
CID 173157680
bis(2-tert-butylcyclopenta-1,3-diene);bis(3-methyl-1H-inden-1-ide);propane;bis(zirconium(3+));dichloride
CID 22998737
2-tert-butylcyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 21261315
2-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87718307
CID 87762916
CID 87762916
2-tert-butylcyclopenta-1,3-diene;1-phenylethylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride
CID 87557764

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride?
The IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride (CID 174428648) is bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride.
What is the SMILES notation for bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride?
The canonical SMILES for bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride is C=C.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride?
The InChIKey is CQZGCJPKSHHUPG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C2H4.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-2;;;/h2*6-7H,4H2,1-3H3;1-2H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride?
bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride has a molecular weight of 519.86 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylcyclopenta-1,3-diene);ethene;hafnium(4+);dichloride is sourced from PubChem (CID 174428648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).