dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)

C12H14Cl2Zr — CID 15242020

IUPACdichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)
SMILESC[c-]1cccc1.C[c-]1cccc1.Cl[Zr+2]Cl
InChIInChI=1S/2C6H7.2ClH.Zr/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZUYRMIQFRZTNFG-UHFFFAOYSA-L
MW320.37 g/mol
LogP4.80
Rot. Bonds

About dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)

dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene) (PubChem CID 15242020) has the molecular formula C12H14Cl2Zr and a molecular weight of 320.37 g/mol. Its IUPAC name is dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)
PubChem CID15242020
Molecular FormulaC12H14Cl2Zr
Molecular Weight320.37 g/mol
Exact Mass317.95
IUPAC Namedichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)
SMILESC[c-]1cccc1.C[c-]1cccc1.Cl[Zr+2]Cl
InChIInChI=1S/2C6H7.2ClH.Zr/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZUYRMIQFRZTNFG-UHFFFAOYSA-L
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.80
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

Zirconocene, dichloride
CID 102092
Bis(methylcyclopentadienyl)titanium dichloride
CID 200234
Ethynylferrocene
CID 71311525
Ferrocene, ethyl-
CID 92882
Dichloro(eta5-2,4-cyclopentadien-1-yl)((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)titanium
CID 200235
Titanium(4+) chloride 2,2'-methylenedi(cyclopenta-2,4-dien-1-ide) (1/2/1)
CID 208248
Titanium(4+) chloride 2,2'-(propane-1,3-diyl)di(cyclopenta-2,4-dien-1-ide) (1/2/1)
CID 217094
Titanium(4+) chloride cyclopenta-2,4-dien-1-ide 2-ethylcyclopenta-2,4-dien-1-ide (1/2/1/1)
CID 3061451
Titanium(4+) chloride 2,2'-(ethane-1,1-diyl)di(cyclopenta-2,4-dien-1-ide) (1/2/1)
CID 3061456
Lithium n-butylcyclopentadienide
CID 55253306
Hafnium methanide 1-methylcyclopenta-2,4-dien-1-ide (1/2/2)
CID 92008508
Ferrocene, ethenyl-
CID 79155

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)?
The IUPAC name of dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene) (CID 15242020) is dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene) is C[c-]1cccc1.C[c-]1cccc1.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)?
The InChIKey is ZUYRMIQFRZTNFG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.2ClH.Zr/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene)?
dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene) has a molecular weight of 320.37 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);bis(5-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 15242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).