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

C14H18Cl2Hf — CID 73411812

IUPACbis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C7H9.2ClH.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQPMBILXTOFKMLI-UHFFFAOYSA-L
MW435.69 g/mol
LogP-1.82
Rot. Bonds2

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

bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride (PubChem CID 73411812) has the molecular formula C14H18Cl2Hf and a molecular weight of 435.69 g/mol. Its IUPAC name is bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride.

Molecular Properties

Compound Namebis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
PubChem CID73411812
Molecular FormulaC14H18Cl2Hf
Molecular Weight435.69 g/mol
Exact Mass436.03
IUPAC Namebis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C7H9.2ClH.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQPMBILXTOFKMLI-UHFFFAOYSA-L
XLogP-1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.69
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The IUPAC name of bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride (CID 73411812) is bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride.
What is the SMILES notation for bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The canonical SMILES for bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride is CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The InChIKey is QPMBILXTOFKMLI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.2ClH.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride?
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride has a molecular weight of 435.69 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride is sourced from PubChem (CID 73411812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).