cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride

C16H16Cl2Zr — CID 87652477

IUPACcyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2cc[cH-]c2cc1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C11H11.C5H5.2ClH.Zr/c1-8-6-10-4-3-5-11(10)7-9(8)2;1-2-4-5-3-1;;;/h3-7H,1-2H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyMIVCYGMGNFRKMN-UHFFFAOYSA-L
MW370.43 g/mol
LogP-1.51
Rot. Bonds

About cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride

cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 87652477) has the molecular formula C16H16Cl2Zr and a molecular weight of 370.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID87652477
Molecular FormulaC16H16Cl2Zr
Molecular Weight370.43 g/mol
Exact Mass367.97
IUPAC Namecyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2cc[cH-]c2cc1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C11H11.C5H5.2ClH.Zr/c1-8-6-10-4-3-5-11(10)7-9(8)2;1-2-4-5-3-1;;;/h3-7H,1-2H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyMIVCYGMGNFRKMN-UHFFFAOYSA-L
XLogP-1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-1.51
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

bis(5,6-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
CID 87203270
bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
CID 173106516
tetrakis(5,6-dimethyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 22323907
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium
CID 175183042
butane;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(2+)
CID 173283220
cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride
CID 87786094
cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
CID 22121693
carbanide;cyclopenta-1,3-diene;dichlorozirconium;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077828
CID 87556722
CID 87556722
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 173309786
carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
CID 87936160

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 87652477) is cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride is Cc1cc2cc[cH-]c2cc1C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is MIVCYGMGNFRKMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C5H5.2ClH.Zr/c1-8-6-10-4-3-5-11(10)7-9(8)2;1-2-4-5-3-1;;;/h3-7H,1-2H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride?
cyclopenta-1,3-diene;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 370.43 g/mol, XLogP of -1.51, 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;5,6-dimethyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 87652477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).