hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride

C16H22Cl2Hf — CID 174990911

IUPAChafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride
SMILESCC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-7(2)8-5-3-4-6-8;;;/h2*5-7H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQVMFZTNEPQFWCZ-UHFFFAOYSA-L
MW463.75 g/mol
LogP-1.33
Rot. Bonds2

About hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride

hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride (PubChem CID 174990911) has the molecular formula C16H22Cl2Hf and a molecular weight of 463.75 g/mol. Its IUPAC name is hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride
PubChem CID174990911
Molecular FormulaC16H22Cl2Hf
Molecular Weight463.75 g/mol
Exact Mass464.06
IUPAC Namehafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride
SMILESCC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-7(2)8-5-3-4-6-8;;;/h2*5-7H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQVMFZTNEPQFWCZ-UHFFFAOYSA-L
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.75
LogP ≤ 5-1.33
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 hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride?
The IUPAC name of hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride (CID 174990911) is hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride is CC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride?
The InChIKey is QVMFZTNEPQFWCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.2ClH.Hf/c2*1-7(2)8-5-3-4-6-8;;;/h2*5-7H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride?
hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride has a molecular weight of 463.75 g/mol, XLogP of -1.33, 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-ylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 174990911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).