hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride

C16H22Cl2Hf — CID 53384272

IUPAChafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride
SMILESCCCc1ccc[cH-]1.CCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-2-5-8-6-3-4-7-8;;;/h2*3-4,6-7H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUQWWTMGDSKPUTB-UHFFFAOYSA-L
MW463.75 g/mol
LogP-1.28
Rot. Bonds4

About hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride

hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride (PubChem CID 53384272) has the molecular formula C16H22Cl2Hf and a molecular weight of 463.75 g/mol. Its IUPAC name is hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride
PubChem CID53384272
Molecular FormulaC16H22Cl2Hf
Molecular Weight463.75 g/mol
Exact Mass464.06
IUPAC Namehafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride
SMILESCCCc1ccc[cH-]1.CCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-2-5-8-6-3-4-7-8;;;/h2*3-4,6-7H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUQWWTMGDSKPUTB-UHFFFAOYSA-L
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.75
LogP ≤ 5-1.28
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(1-propylcyclopenta-1,3-diene);dichloride?
The IUPAC name of hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride (CID 53384272) is hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride is CCCc1ccc[cH-]1.CCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride?
The InChIKey is UQWWTMGDSKPUTB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.2ClH.Hf/c2*1-2-5-8-6-3-4-7-8;;;/h2*3-4,6-7H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride?
hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride has a molecular weight of 463.75 g/mol, XLogP of -1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 53384272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).