1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide

C19H20Br2Zr — CID 157369632

IUPAC1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide
SMILESCC1[C-]=CC2=C1CCCC2.[Br-].[Br-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H13.C9H7.2BrH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;;;/h7-8H,2-5H2,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPMOAHQOSJYEKNR-UHFFFAOYSA-L
MW499.40 g/mol
LogP-0.57
Rot. Bonds

About 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide

1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide (PubChem CID 157369632) has the molecular formula C19H20Br2Zr and a molecular weight of 499.40 g/mol. Its IUPAC name is 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide.

Molecular Properties

Compound Name1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide
PubChem CID157369632
Molecular FormulaC19H20Br2Zr
Molecular Weight499.40 g/mol
Exact Mass495.90
IUPAC Name1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide
SMILESCC1[C-]=CC2=C1CCCC2.[Br-].[Br-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H13.C9H7.2BrH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;;;/h7-8H,2-5H2,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPMOAHQOSJYEKNR-UHFFFAOYSA-L
XLogP-0.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide with MolForge

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Related Compounds

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CID 22311255
CID 22311255
CID 158567805
CID 158567805
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
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CID 157067966
1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
CID 22555133
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
ethene;bis(1H-inden-1-ide);methanolate;zirconium(4+);chloride
CID 173230706
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide?
The IUPAC name of 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide (CID 157369632) is 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide.
What is the SMILES notation for 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide?
The canonical SMILES for 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide is CC1[C-]=CC2=C1CCCC2.[Br-].[Br-].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide?
The InChIKey is PMOAHQOSJYEKNR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13.C9H7.2BrH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;;;/h7-8H,2-5H2,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide?
1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide has a molecular weight of 499.40 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;zirconium(4+);dibromide is sourced from PubChem (CID 157369632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).