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

C20H30Br2Hf — CID 21266938

IUPAChafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Br-].[Br-].[Hf+4]
InChIInChI=1S/2C10H15.2BrH.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyARVAYYXMCOFOCQ-UHFFFAOYSA-L
MW608.76 g/mol
LogP0.23
Rot. Bonds

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

hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide (PubChem CID 21266938) has the molecular formula C20H30Br2Hf and a molecular weight of 608.76 g/mol. Its IUPAC name is hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide.

Molecular Properties

Compound Namehafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide
PubChem CID21266938
Molecular FormulaC20H30Br2Hf
Molecular Weight608.76 g/mol
Exact Mass608.02
IUPAC Namehafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Br-].[Br-].[Hf+4]
InChIInChI=1S/2C10H15.2BrH.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyARVAYYXMCOFOCQ-UHFFFAOYSA-L
XLogP0.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.76
LogP ≤ 50.23
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(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide?
The IUPAC name of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide (CID 21266938) is hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide.
What is the SMILES notation for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide?
The canonical SMILES for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide is CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Br-].[Br-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide?
The InChIKey is ARVAYYXMCOFOCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2BrH.Hf/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide?
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide has a molecular weight of 608.76 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide is sourced from PubChem (CID 21266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).