1-butylcyclopenta-1,3-diene;hafnium;dichloride

C9H13Cl2Hf-3 — CID 158111562

IUPAC1-butylcyclopenta-1,3-diene;hafnium;dichloride
SMILESCCCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C9H13.2ClH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4-5,7-8H,2-3,6H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyKDYNREOYECGPCS-UHFFFAOYSA-L
MW370.60 g/mol
LogP-3.25
Rot. Bonds3

About 1-butylcyclopenta-1,3-diene;hafnium;dichloride

1-butylcyclopenta-1,3-diene;hafnium;dichloride (PubChem CID 158111562) has the molecular formula C9H13Cl2Hf-3 and a molecular weight of 370.60 g/mol. Its IUPAC name is 1-butylcyclopenta-1,3-diene;hafnium;dichloride.

Molecular Properties

Compound Name1-butylcyclopenta-1,3-diene;hafnium;dichloride
PubChem CID158111562
Molecular FormulaC9H13Cl2Hf-3
Molecular Weight370.60 g/mol
Exact Mass370.99
IUPAC Name1-butylcyclopenta-1,3-diene;hafnium;dichloride
SMILESCCCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C9H13.2ClH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4-5,7-8H,2-3,6H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyKDYNREOYECGPCS-UHFFFAOYSA-L
XLogP-3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butylcyclopenta-1,3-diene;hafnium;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

bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
CID 159836461
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
CID 160643326
CID 160643326
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
bis(1-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene);titanium(2+)
CID 175026738
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
bis(3-cyclopenta-1,3-dien-1-ylpropyl(diphenyl)phosphane);iron(2+)
CID 159314946
bis(cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane);hafnium
CID 175893047
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
CID 175736486
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclopenta-1,3-diene;hafnium;dichloride?
The IUPAC name of 1-butylcyclopenta-1,3-diene;hafnium;dichloride (CID 158111562) is 1-butylcyclopenta-1,3-diene;hafnium;dichloride.
What is the SMILES notation for 1-butylcyclopenta-1,3-diene;hafnium;dichloride?
The canonical SMILES for 1-butylcyclopenta-1,3-diene;hafnium;dichloride is CCCCc1ccc[cH-]1.[Cl-].[Cl-].[Hf].
What is the InChIKey of 1-butylcyclopenta-1,3-diene;hafnium;dichloride?
The InChIKey is KDYNREOYECGPCS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.2ClH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4-5,7-8H,2-3,6H2,1H3;2*1H;/q-1;;;/p-2.
What are the key properties of 1-butylcyclopenta-1,3-diene;hafnium;dichloride?
1-butylcyclopenta-1,3-diene;hafnium;dichloride has a molecular weight of 370.60 g/mol, XLogP of -3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclopenta-1,3-diene;hafnium;dichloride is sourced from PubChem (CID 158111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).