9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride

C25H26Cl2Zr — CID 22572576

IUPAC9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
SMILESC=CCCC(C)(C1=C(C)C=CC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C25H26.2ClH.Zr/c1-4-5-17-25(3,23-16-10-11-18(23)2)24-21-14-8-6-12-19(21)20-13-7-9-15-22(20)24;;;/h4,6-15,24H,1,5,16-17H2,2-3H3;2*1H;/q;;;+2/p-2
InChIKeyOZYJEMDYXUVCAF-UHFFFAOYSA-L
MW488.61 g/mol
LogP1.05
Rot. Bonds5

About 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride

9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride (PubChem CID 22572576) has the molecular formula C25H26Cl2Zr and a molecular weight of 488.61 g/mol. Its IUPAC name is 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride.

Molecular Properties

Compound Name9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
PubChem CID22572576
Molecular FormulaC25H26Cl2Zr
Molecular Weight488.61 g/mol
Exact Mass486.05
IUPAC Name9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
SMILESC=CCCC(C)(C1=C(C)C=CC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C25H26.2ClH.Zr/c1-4-5-17-25(3,23-16-10-11-18(23)2)24-21-14-8-6-12-19(21)20-13-7-9-15-22(20)24;;;/h4,6-15,24H,1,5,16-17H2,2-3H3;2*1H;/q;;;+2/p-2
InChIKeyOZYJEMDYXUVCAF-UHFFFAOYSA-L
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride?
The IUPAC name of 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride (CID 22572576) is 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride.
What is the SMILES notation for 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride?
The canonical SMILES for 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride is C=CCCC(C)(C1=C(C)C=CC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride?
The InChIKey is OZYJEMDYXUVCAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H26.2ClH.Zr/c1-4-5-17-25(3,23-16-10-11-18(23)2)24-21-14-8-6-12-19(21)20-13-7-9-15-22(20)24;;;/h4,6-15,24H,1,5,16-17H2,2-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride?
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride has a molecular weight of 488.61 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride is sourced from PubChem (CID 22572576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).