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

C20H30Cl2Hf — CID 22325444

IUPAChafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
SMILESCCCCCC1=[C-]CC=C1.CCCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C10H15.2ClH.Hf/c2*1-2-3-4-7-10-8-5-6-9-10;;;/h2*5,8H,2-4,6-7H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRYOHXLDOKFPGAC-UHFFFAOYSA-L
MW519.86 g/mol
LogP0.52
Rot. Bonds8

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

hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride (PubChem CID 22325444) has the molecular formula C20H30Cl2Hf and a molecular weight of 519.86 g/mol. Its IUPAC name is hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
PubChem CID22325444
Molecular FormulaC20H30Cl2Hf
Molecular Weight519.86 g/mol
Exact Mass520.12
IUPAC Namehafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
SMILESCCCCCC1=[C-]CC=C1.CCCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C10H15.2ClH.Hf/c2*1-2-3-4-7-10-8-5-6-9-10;;;/h2*5,8H,2-4,6-7H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRYOHXLDOKFPGAC-UHFFFAOYSA-L
XLogP0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.86
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-pentylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 22311232
bis(2-hexylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87133265
manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
sodium 2-pentylcyclopenta-1,3-diene
CID 173389427
bis(2-heptylcyclopenta-1,3-diene);iron(2+)
CID 20531351
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296
2-butylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87550907
bis(2-butylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 22323867
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
bis(2-butylcyclopenta-1,3-diene);propan-2-ylidenehafnium(2+);dichloride
CID 88592709
bis(2-butylcyclopenta-1,3-diene);methylidenezirconium(2+);dihydrochloride
CID 87997533

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride?
The IUPAC name of hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride (CID 22325444) is hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride is CCCCCC1=[C-]CC=C1.CCCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride?
The InChIKey is RYOHXLDOKFPGAC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Hf/c2*1-2-3-4-7-10-8-5-6-9-10;;;/h2*5,8H,2-4,6-7H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride?
hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride has a molecular weight of 519.86 g/mol, XLogP of 0.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 22325444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).