cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride

C11H17Cl2Hf- — CID 174711414

IUPACcyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride
SMILESCl.Cl.[C-]1=C(C2CCCCC2)C=CC1.[Hf]
InChIInChI=1S/C11H15.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;
InChIKeyYYWIQZRCIJBYLD-UHFFFAOYSA-N
MW398.65 g/mol
LogP4.10
Rot. Bonds1

About cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride

cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride (PubChem CID 174711414) has the molecular formula C11H17Cl2Hf- and a molecular weight of 398.65 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride
PubChem CID174711414
Molecular FormulaC11H17Cl2Hf-
Molecular Weight398.65 g/mol
Exact Mass399.02
IUPAC Namecyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride
SMILESCl.Cl.[C-]1=C(C2CCCCC2)C=CC1.[Hf]
InChIInChI=1S/C11H15.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;
InChIKeyYYWIQZRCIJBYLD-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride?
The IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride (CID 174711414) is cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride?
The canonical SMILES for cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride is Cl.Cl.[C-]1=C(C2CCCCC2)C=CC1.[Hf].
What is the InChIKey of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride?
The InChIKey is YYWIQZRCIJBYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;.
What are the key properties of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride?
cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride has a molecular weight of 398.65 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride is sourced from PubChem (CID 174711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).