cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride

C17H22Cl2Zr-2 — CID 87775091

IUPACcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride
SMILESCC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.C5H5.C3H6.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h3,6-7H,1-2,4-5H2;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMMZYAMMLDFINTM-UHFFFAOYSA-L
MW388.49 g/mol
LogP-1.66
Rot. Bonds

About cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride

cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride (PubChem CID 87775091) has the molecular formula C17H22Cl2Zr-2 and a molecular weight of 388.49 g/mol. Its IUPAC name is cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride
PubChem CID87775091
Molecular FormulaC17H22Cl2Zr-2
Molecular Weight388.49 g/mol
Exact Mass386.02
IUPAC Namecyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride
SMILESCC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.C5H5.C3H6.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h3,6-7H,1-2,4-5H2;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMMZYAMMLDFINTM-UHFFFAOYSA-L
XLogP-1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride with MolForge

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Related Compounds

bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
CID 173106516
4,5,6,7-tetrahydro-1H-inden-1-ide
CID 11987054
hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 22633752
hafnium(4+);4,5,6,7-tetrahydro-1H-inden-1-ide
CID 18172278
benzhydrylidenezirconium(2+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dichloride
CID 87791414
methanolate;4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(3+)
CID 88655285
dichloro(propan-2-ylidene)zirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 173129694
bis(4,5,6,7-tetrahydro-1H-inden-1-ide);zirconium(2+);hydrochloride
CID 19352953
4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride
CID 158723786
4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);tribromide
CID 162221677
CID 154825490
CID 154825490
2-tert-butylcyclopenta-1,3-diene;1-phenylethylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride
CID 87557764

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride (CID 87775091) is cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride is CC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1cc2c([cH-]1)CCCC2.
What is the InChIKey of cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride?
The InChIKey is MMZYAMMLDFINTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11.C5H5.C3H6.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h3,6-7H,1-2,4-5H2;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride?
cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride has a molecular weight of 388.49 g/mol, XLogP of -1.66, 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;propan-2-ylidenezirconium(2+);4,5,6,7-tetrahydro-1H-inden-1-ide;dichloride is sourced from PubChem (CID 87775091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).