7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide

C15H19Br2Zr — CID 161230348

IUPAC7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
SMILESCCCc1ccc(CC)c2[cH-]c(C)cc12.[Br-].[Br-].[Zr+3]
InChIInChI=1S/C15H19.2BrH.Zr/c1-4-6-13-8-7-12(5-2)14-9-11(3)10-15(13)14;;;/h7-10H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBJRRRTXUUYFMSN-UHFFFAOYSA-L
MW450.35 g/mol
LogP-1.61
Rot. Bonds3

About 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide

7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide (PubChem CID 161230348) has the molecular formula C15H19Br2Zr and a molecular weight of 450.35 g/mol. Its IUPAC name is 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide.

Molecular Properties

Compound Name7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
PubChem CID161230348
Molecular FormulaC15H19Br2Zr
Molecular Weight450.35 g/mol
Exact Mass446.89
IUPAC Name7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
SMILESCCCc1ccc(CC)c2[cH-]c(C)cc12.[Br-].[Br-].[Zr+3]
InChIInChI=1S/C15H19.2BrH.Zr/c1-4-6-13-8-7-12(5-2)14-9-11(3)10-15(13)14;;;/h7-10H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBJRRRTXUUYFMSN-UHFFFAOYSA-L
XLogP-1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 5-1.61
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-methyl-4-propyl-1H-inden-1-ide;zirconium
CID 174349249
CID 87846848
CID 87846848
CID 159572183
CID 159572183
dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
CID 174402976
CID 87847665
CID 87847665
CID 172801081
CID 172801081
bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 22602465
dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 161403198
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
CID 158920886
CID 87935490
CID 87935490

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide?
The IUPAC name of 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide (CID 161230348) is 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide.
What is the SMILES notation for 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide?
The canonical SMILES for 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide is CCCc1ccc(CC)c2[cH-]c(C)cc12.[Br-].[Br-].[Zr+3].
What is the InChIKey of 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide?
The InChIKey is BJRRRTXUUYFMSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H19.2BrH.Zr/c1-4-6-13-8-7-12(5-2)14-9-11(3)10-15(13)14;;;/h7-10H,4-6H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide?
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide has a molecular weight of 450.35 g/mol, XLogP of -1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide is sourced from PubChem (CID 161230348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).