dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene

C11H18Cl2Zr — CID 174413496

IUPACdichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene
SMILESCCC1=CC(CC)=C(C)C1C.Cl[Zr]Cl
InChIInChI=1S/C11H18.2ClH.Zr/c1-5-10-7-11(6-2)9(4)8(10)3;;;/h7-8H,5-6H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyPMIMQBGGAYMIPE-UHFFFAOYSA-L
MW312.40 g/mol
LogP5.08
Rot. Bonds2

About dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene

dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene (PubChem CID 174413496) has the molecular formula C11H18Cl2Zr and a molecular weight of 312.40 g/mol. Its IUPAC name is dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene
PubChem CID174413496
Molecular FormulaC11H18Cl2Zr
Molecular Weight312.40 g/mol
Exact Mass309.98
IUPAC Namedichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene
SMILESCCC1=CC(CC)=C(C)C1C.Cl[Zr]Cl
InChIInChI=1S/C11H18.2ClH.Zr/c1-5-10-7-11(6-2)9(4)8(10)3;;;/h7-8H,5-6H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyPMIMQBGGAYMIPE-UHFFFAOYSA-L
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene (CID 174413496) is dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene is CCC1=CC(CC)=C(C)C1C.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene?
The InChIKey is PMIMQBGGAYMIPE-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H18.2ClH.Zr/c1-5-10-7-11(6-2)9(4)8(10)3;;;/h7-8H,5-6H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene?
dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene has a molecular weight of 312.40 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,4-diethyl-1,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 174413496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).