7-methyl-1H-inden-1-ide;zirconium;dihydrochloride

C10H11Cl2Zr- — CID 173231545

IUPAC7-methyl-1H-inden-1-ide;zirconium;dihydrochloride
SMILESCc1cccc2cc[cH-]c12.Cl.Cl.[Zr]
InChIInChI=1S/C10H9.2ClH.Zr/c1-8-4-2-5-9-6-3-7-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;
InChIKeyKPCDFCBMTVIODL-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.71
Rot. Bonds

About 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride

7-methyl-1H-inden-1-ide;zirconium;dihydrochloride (PubChem CID 173231545) has the molecular formula C10H11Cl2Zr- and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride.

Molecular Properties

Compound Name7-methyl-1H-inden-1-ide;zirconium;dihydrochloride
PubChem CID173231545
Molecular FormulaC10H11Cl2Zr-
Molecular Weight293.33 g/mol
Exact Mass290.93
IUPAC Name7-methyl-1H-inden-1-ide;zirconium;dihydrochloride
SMILESCc1cccc2cc[cH-]c12.Cl.Cl.[Zr]
InChIInChI=1S/C10H9.2ClH.Zr/c1-8-4-2-5-9-6-3-7-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;
InChIKeyKPCDFCBMTVIODL-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.71
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

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4,7-dimethyl-1H-inden-1-ide;scandium
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bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
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1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1,8-dimethylnaphthalene;ethane
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1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
CID 172747383
CID 172747383
tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride?
The IUPAC name of 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride (CID 173231545) is 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride.
What is the SMILES notation for 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride?
The canonical SMILES for 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride is Cc1cccc2cc[cH-]c12.Cl.Cl.[Zr].
What is the InChIKey of 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride?
The InChIKey is KPCDFCBMTVIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.2ClH.Zr/c1-8-4-2-5-9-6-3-7-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;.
What are the key properties of 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride?
7-methyl-1H-inden-1-ide;zirconium;dihydrochloride has a molecular weight of 293.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-inden-1-ide;zirconium;dihydrochloride is sourced from PubChem (CID 173231545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).