2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide

C22H28Br2Zr — CID 172860989

IUPAC2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
SMILESCCCc1c(C)c(C)c(C)[c-]1C.Cc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+4]
InChIInChI=1S/C12H19.C10H9.2BrH.Zr/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-6-9-4-2-3-5-10(9)7-8;;;/h6-7H2,1-5H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLDSWWLCQIHHIPO-UHFFFAOYSA-L
MW543.50 g/mol
LogP0.46
Rot. Bonds2

About 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide

2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide (PubChem CID 172860989) has the molecular formula C22H28Br2Zr and a molecular weight of 543.50 g/mol. Its IUPAC name is 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide.

Molecular Properties

Compound Name2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
PubChem CID172860989
Molecular FormulaC22H28Br2Zr
Molecular Weight543.50 g/mol
Exact Mass539.96
IUPAC Name2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
SMILESCCCc1c(C)c(C)c(C)[c-]1C.Cc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+4]
InChIInChI=1S/C12H19.C10H9.2BrH.Zr/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-6-9-4-2-3-5-10(9)7-8;;;/h6-7H2,1-5H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLDSWWLCQIHHIPO-UHFFFAOYSA-L
XLogP0.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.50
LogP ≤ 50.46
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

2-ethyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide
CID 159110970
2-phenyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 158087222
2-propan-2-yl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172831665
2-methyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172756825
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;2-propyl-1H-inden-1-ide;zirconium(4+);diiodide
CID 172803359
difluorozirconium(2+);2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene
CID 154603991
2-butyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 172730599
2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172692568
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
CID 173020208
CID 173020208
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide?
The IUPAC name of 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide (CID 172860989) is 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide.
What is the SMILES notation for 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide?
The canonical SMILES for 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide is CCCc1c(C)c(C)c(C)[c-]1C.Cc1cc2ccccc2[cH-]1.[Br-].[Br-].[Zr+4].
What is the InChIKey of 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide?
The InChIKey is LDSWWLCQIHHIPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H19.C10H9.2BrH.Zr/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-6-9-4-2-3-5-10(9)7-8;;;/h6-7H2,1-5H3;2-7H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide?
2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide has a molecular weight of 543.50 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dibromide is sourced from PubChem (CID 172860989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).