cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride

C14H20Cl2Zr — CID 87394900

IUPACcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H13.C5H5.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h6H,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyUGGVSOVBDLGKLL-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.87
Rot. Bonds

About cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride

cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride (PubChem CID 87394900) has the molecular formula C14H20Cl2Zr and a molecular weight of 350.44 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride
PubChem CID87394900
Molecular FormulaC14H20Cl2Zr
Molecular Weight350.44 g/mol
Exact Mass348.00
IUPAC Namecyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C9H13.C5H5.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h6H,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyUGGVSOVBDLGKLL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.87
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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Related Compounds

CID 173067058
CID 173067058
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
CID 173383361
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 22012837
bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
CID 173031450
CID 173031450
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 18925878
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride (CID 87394900) is cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride?
The InChIKey is UGGVSOVBDLGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H5.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h6H,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride?
cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride has a molecular weight of 350.44 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride is sourced from PubChem (CID 87394900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).