ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride

C12H14Cl2Zr — CID 157150414

IUPACethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2ccccc2[cH-]1.[CH2-]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H9.C2H5.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2;;;/h2-7H,1H3;1H2,2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBUNJXISZXJHUST-UHFFFAOYSA-L
MW320.37 g/mol
LogP-2.29
Rot. Bonds

About ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride

ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 157150414) has the molecular formula C12H14Cl2Zr and a molecular weight of 320.37 g/mol. Its IUPAC name is ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Nameethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID157150414
Molecular FormulaC12H14Cl2Zr
Molecular Weight320.37 g/mol
Exact Mass317.95
IUPAC Nameethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2ccccc2[cH-]1.[CH2-]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H9.C2H5.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2;;;/h2-7H,1H3;1H2,2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBUNJXISZXJHUST-UHFFFAOYSA-L
XLogP-2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-2.29
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

CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
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2-methyl-1H-inden-1-ide;praseodymium
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CID 87107737
CID 87864757
CID 87864757
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
bis(2-methyl-1H-inden-1-ide);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
CID 159743008
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
CID 158338912
2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)
CID 174380307
CID 159549239
CID 159549239
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
CID 173263871

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 157150414) is ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is Cc1cc2ccccc2[cH-]1.[CH2-]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is BUNJXISZXJHUST-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C2H5.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2;;;/h2-7H,1H3;1H2,2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 320.37 g/mol, XLogP of -2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 157150414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).