2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride

C14H17Cl2Zr — CID 174405016

IUPAC2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCc1cc(C(C)C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H17.2ClH.Zr/c1-9(2)13-7-10(3)5-12-6-11(4)8-14(12)13;;;/h5-9H,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyFRELWDMZDZNWFW-UHFFFAOYSA-L
MW347.42 g/mol
LogP-1.70
Rot. Bonds1

About 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride

2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 174405016) has the molecular formula C14H17Cl2Zr and a molecular weight of 347.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID174405016
Molecular FormulaC14H17Cl2Zr
Molecular Weight347.42 g/mol
Exact Mass344.98
IUPAC Name2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCc1cc(C(C)C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H17.2ClH.Zr/c1-9(2)13-7-10(3)5-12-6-11(4)8-14(12)13;;;/h5-9H,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyFRELWDMZDZNWFW-UHFFFAOYSA-L
XLogP-1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-1.70
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

carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
tetrakis(2,4,6-trimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22463162
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
CID 142685568
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
CID 173229784
CID 173229784
CID 173312539
CID 173312539
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
CID 87401986
CID 87401986
CID 173325502
CID 173325502
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 18326867

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride (CID 174405016) is 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride is Cc1cc(C(C)C)c2cc(C)[cH-]c2c1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is FRELWDMZDZNWFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17.2ClH.Zr/c1-9(2)13-7-10(3)5-12-6-11(4)8-14(12)13;;;/h5-9H,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride?
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 347.42 g/mol, XLogP of -1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 174405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).