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

C16H22Cl2Hf — CID 87376917

IUPACbis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCc1cc[c-](C)c1.CCc1cc[c-](C)c1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-3-8-5-4-7(2)6-8;;;/h2*4-6H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyIGCRCOXHEDQQFV-UHFFFAOYSA-L
MW463.75 g/mol
LogP-1.44
Rot. Bonds2

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

bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride (PubChem CID 87376917) has the molecular formula C16H22Cl2Hf and a molecular weight of 463.75 g/mol. Its IUPAC name is bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride.

Molecular Properties

Compound Namebis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride
PubChem CID87376917
Molecular FormulaC16H22Cl2Hf
Molecular Weight463.75 g/mol
Exact Mass464.06
IUPAC Namebis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCc1cc[c-](C)c1.CCc1cc[c-](C)c1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C8H11.2ClH.Hf/c2*1-3-8-5-4-7(2)6-8;;;/h2*4-6H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyIGCRCOXHEDQQFV-UHFFFAOYSA-L
XLogP-1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.75
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-ethyl-5-methylcyclopenta-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

Related Compounds

2-ethyl-5-methylcyclopenta-1,3-diene;vanadium(4+);trichloride
CID 161266024
2,5-diethylcyclopenta-1,3-diene;1,3-diethylcyclopentane;iron
CID 173240595
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
bis(1,3-diethyl-5-methylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87376654
1,4-diethylbenzene;ethane;methane
CID 166131756
ethane;4-ethylpyridine
CID 142005045
ethylbenzene;yttrium
CID 59931165
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
1,4-diethylbenzene;oxoalumane
CID 174317758
ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene
CID 90887003

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The IUPAC name of bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride (CID 87376917) is bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride.
What is the SMILES notation for bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The canonical SMILES for bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride is CCc1cc[c-](C)c1.CCc1cc[c-](C)c1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The InChIKey is IGCRCOXHEDQQFV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.2ClH.Hf/c2*1-3-8-5-4-7(2)6-8;;;/h2*4-6H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride?
bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride has a molecular weight of 463.75 g/mol, XLogP of -1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride is sourced from PubChem (CID 87376917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).