hafnium;2-methylcyclopenta-1,3-diene

C6H7Hf- — CID 173074070

IUPAChafnium;2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C6H7.Hf/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyPXSKPGPNBAHSAZ-UHFFFAOYSA-N
MW257.61 g/mol
LogP1.69
Rot. Bonds

About hafnium;2-methylcyclopenta-1,3-diene

hafnium;2-methylcyclopenta-1,3-diene (PubChem CID 173074070) has the molecular formula C6H7Hf- and a molecular weight of 257.61 g/mol. Its IUPAC name is hafnium;2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namehafnium;2-methylcyclopenta-1,3-diene
PubChem CID173074070
Molecular FormulaC6H7Hf-
Molecular Weight257.61 g/mol
Exact Mass259.00
IUPAC Namehafnium;2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C6H7.Hf/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyPXSKPGPNBAHSAZ-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hafnium;2-methylcyclopenta-1,3-diene 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

chromium;2-methylcyclopenta-1,3-diene
CID 173304853
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
CID 174356034
CID 173398279
CID 173398279
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905

Frequently Asked Questions

What is the IUPAC name of hafnium;2-methylcyclopenta-1,3-diene?
The IUPAC name of hafnium;2-methylcyclopenta-1,3-diene (CID 173074070) is hafnium;2-methylcyclopenta-1,3-diene.
What is the SMILES notation for hafnium;2-methylcyclopenta-1,3-diene?
The canonical SMILES for hafnium;2-methylcyclopenta-1,3-diene is CC1=[C-]CC=C1.[Hf].
What is the InChIKey of hafnium;2-methylcyclopenta-1,3-diene?
The InChIKey is PXSKPGPNBAHSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Hf/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;.
What are the key properties of hafnium;2-methylcyclopenta-1,3-diene?
hafnium;2-methylcyclopenta-1,3-diene has a molecular weight of 257.61 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 173074070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).