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

C11H17HfI2- — CID 174700888

IUPACcyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide
SMILESI.I.[C-]1=C(C2CCCCC2)C=CC1.[Hf]
InChIInChI=1S/C11H15.Hf.2HI/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;;2*1H/q-1;;;
InChIKeyRLQRJRWJEDIADA-UHFFFAOYSA-N
MW581.55 g/mol
LogP4.49
Rot. Bonds1

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

cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide (PubChem CID 174700888) has the molecular formula C11H17HfI2- and a molecular weight of 581.55 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide
PubChem CID174700888
Molecular FormulaC11H17HfI2-
Molecular Weight581.55 g/mol
Exact Mass582.89
IUPAC Namecyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide
SMILESI.I.[C-]1=C(C2CCCCC2)C=CC1.[Hf]
InChIInChI=1S/C11H15.Hf.2HI/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;;2*1H/q-1;;;
InChIKeyRLQRJRWJEDIADA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide?
The IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide (CID 174700888) is cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide?
The canonical SMILES for cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide is I.I.[C-]1=C(C2CCCCC2)C=CC1.[Hf].
What is the InChIKey of cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide?
The InChIKey is RLQRJRWJEDIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.Hf.2HI/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;dihydroiodide?
cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide has a molecular weight of 581.55 g/mol, XLogP of 4.49, 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;dihydroiodide is sourced from PubChem (CID 174700888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).