5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium

C14H17Cl2Zr- — CID 173263456

IUPAC5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium
SMILESCc1cc2cc(C(C)(C)C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C14H17.2ClH.Zr/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;;;/h5-9H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyZGFJVHVQTLBNRD-UHFFFAOYSA-L
MW347.42 g/mol
LogP5.54
Rot. Bonds

About 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium

5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium (PubChem CID 173263456) has the molecular formula C14H17Cl2Zr- and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium
PubChem CID173263456
Molecular FormulaC14H17Cl2Zr-
Molecular Weight347.42 g/mol
Exact Mass344.98
IUPAC Name5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium
SMILESCc1cc2cc(C(C)(C)C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C14H17.2ClH.Zr/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;;;/h5-9H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyZGFJVHVQTLBNRD-UHFFFAOYSA-L
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.54
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

bis(5-tert-butyl-2-methyl-1H-inden-1-ide);zirconium(4+);dichloride
CID 157387836
6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;dichlorozirconium
CID 154443502
2,7-ditert-butyl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide
CID 173211702
CID 173242048
CID 173242048
dichlororuthenium;2-methyl-5-phenyl-1H-inden-1-ide
CID 150866030
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
CID 173308427
CID 173308427
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
CID 159549239
CID 159549239
bis(4-(3,5-ditert-butylphenyl)-2,5,7-trimethyl-1H-inden-1-ide);dichlorozirconium;ethane
CID 87984254
bis(2-methyl-5-(2-methylpropyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 19382036

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium?
The IUPAC name of 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium (CID 173263456) is 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium.
What is the SMILES notation for 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium?
The canonical SMILES for 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium is Cc1cc2cc(C(C)(C)C)ccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium?
The InChIKey is ZGFJVHVQTLBNRD-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17.2ClH.Zr/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;;;/h5-9H,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium?
5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium has a molecular weight of 347.42 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1H-inden-1-ide;dichlorozirconium is sourced from PubChem (CID 173263456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).