hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide

C10H17HfI2- — CID 175283322

IUPAChafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide
SMILESCC1=[C-]C(C)(C)C(C)=C1C.I.I.[Hf]
InChIInChI=1S/C10H15.Hf.2HI/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;;2*1H/q-1;;;
InChIKeyCFDZZDRQDLVASL-UHFFFAOYSA-N
MW569.54 g/mol
LogP4.35
Rot. Bonds

About hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide

hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide (PubChem CID 175283322) has the molecular formula C10H17HfI2- and a molecular weight of 569.54 g/mol. Its IUPAC name is hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide.

Molecular Properties

Compound Namehafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide
PubChem CID175283322
Molecular FormulaC10H17HfI2-
Molecular Weight569.54 g/mol
Exact Mass570.89
IUPAC Namehafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide
SMILESCC1=[C-]C(C)(C)C(C)=C1C.I.I.[Hf]
InChIInChI=1S/C10H15.Hf.2HI/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;;2*1H/q-1;;;
InChIKeyCFDZZDRQDLVASL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
CID 87710509
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;vanadium
CID 173203726
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);thorium(2+)
CID 173316501
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene)
CID 22023527
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
CID 22023607
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)
CID 22027344
hafnium(4+);bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);dibromide
CID 21266938
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;vanadium(2+);dichloride
CID 18368708
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 18916144
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;rhodium;dihydrochloride
CID 87161115
hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)
CID 173113537
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);vanadium(2+);chloride
CID 18368655

Frequently Asked Questions

What is the IUPAC name of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide?
The IUPAC name of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide (CID 175283322) is hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide.
What is the SMILES notation for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide?
The canonical SMILES for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide is CC1=[C-]C(C)(C)C(C)=C1C.I.I.[Hf].
What is the InChIKey of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide?
The InChIKey is CFDZZDRQDLVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Hf.2HI/c1-7-6-10(4,5)9(3)8(7)2;;;/h1-5H3;;2*1H/q-1;;;.
What are the key properties of hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide?
hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide has a molecular weight of 569.54 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dihydroiodide is sourced from PubChem (CID 175283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).