1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride

C13H16Cl2Zr — CID 19936013

IUPAC1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C13H16.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-7,9H,8,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyPWVJPWBMEUGKOZ-UHFFFAOYSA-L
MW334.40 g/mol
LogP-2.21
Rot. Bonds2

About 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride (PubChem CID 19936013) has the molecular formula C13H16Cl2Zr and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride
PubChem CID19936013
Molecular FormulaC13H16Cl2Zr
Molecular Weight334.40 g/mol
Exact Mass331.97
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride
SMILESCC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C13H16.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-7,9H,8,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyPWVJPWBMEUGKOZ-UHFFFAOYSA-L
XLogP-2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride (CID 19936013) is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride is CC(C)(C1=CC=CC1)C1=CC=CC1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride?
The InChIKey is PWVJPWBMEUGKOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H16.2ClH.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;;;/h3-7,9H,8,10H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride?
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride has a molecular weight of 334.40 g/mol, XLogP of -2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;zirconium(2+);dichloride is sourced from PubChem (CID 19936013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).