hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride

C20H30Cl2Hf — CID 87375739

IUPAChafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C10H15.2ClH.Hf/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWOVAPSKRUGQYQX-UHFFFAOYSA-L
MW519.86 g/mol
LogP-0.10
Rot. Bonds

About hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride

hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride (PubChem CID 87375739) has the molecular formula C20H30Cl2Hf and a molecular weight of 519.86 g/mol. Its IUPAC name is hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
PubChem CID87375739
Molecular FormulaC20H30Cl2Hf
Molecular Weight519.86 g/mol
Exact Mass520.12
IUPAC Namehafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C10H15.2ClH.Hf/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWOVAPSKRUGQYQX-UHFFFAOYSA-L
XLogP-0.10
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 ≤ 5-0.10
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(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride (CID 87375739) is hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride?
The InChIKey is WOVAPSKRUGQYQX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Hf/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride?
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride has a molecular weight of 519.86 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 87375739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).