hex-1-ene;zirconium(4+);dichloride

C6H12Cl2Zr+2 — CID 157382882

IUPAChex-1-ene;zirconium(4+);dichloride
SMILESC=CCCCC.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H12.2ClH.Zr/c1-3-5-6-4-2;;;/h3H,1,4-6H2,2H3;2*1H;/q;;;+4/p-2
InChIKeyMHQVIJQLDZWOFK-UHFFFAOYSA-L
MW246.29 g/mol
LogP-3.63
Rot. Bonds3

About hex-1-ene;zirconium(4+);dichloride

hex-1-ene;zirconium(4+);dichloride (PubChem CID 157382882) has the molecular formula C6H12Cl2Zr+2 and a molecular weight of 246.29 g/mol. Its IUPAC name is hex-1-ene;zirconium(4+);dichloride.

Molecular Properties

Compound Namehex-1-ene;zirconium(4+);dichloride
PubChem CID157382882
Molecular FormulaC6H12Cl2Zr+2
Molecular Weight246.29 g/mol
Exact Mass243.94
IUPAC Namehex-1-ene;zirconium(4+);dichloride
SMILESC=CCCCC.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H12.2ClH.Zr/c1-3-5-6-4-2;;;/h3H,1,4-6H2,2H3;2*1H;/q;;;+4/p-2
InChIKeyMHQVIJQLDZWOFK-UHFFFAOYSA-L
XLogP-3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;zirconium(4+);dichloride?
The IUPAC name of hex-1-ene;zirconium(4+);dichloride (CID 157382882) is hex-1-ene;zirconium(4+);dichloride.
What is the SMILES notation for hex-1-ene;zirconium(4+);dichloride?
The canonical SMILES for hex-1-ene;zirconium(4+);dichloride is C=CCCCC.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of hex-1-ene;zirconium(4+);dichloride?
The InChIKey is MHQVIJQLDZWOFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12.2ClH.Zr/c1-3-5-6-4-2;;;/h3H,1,4-6H2,2H3;2*1H;/q;;;+4/p-2.
What are the key properties of hex-1-ene;zirconium(4+);dichloride?
hex-1-ene;zirconium(4+);dichloride has a molecular weight of 246.29 g/mol, XLogP of -3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;zirconium(4+);dichloride is sourced from PubChem (CID 157382882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).