hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)

C26H30Hf-2 — CID 140767491

IUPAChafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
SMILESCc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.[Hf]
InChIInChI=1S/2C13H15.Hf/c2*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;/h2*4-9H,1-3H3;/q2*-1;
InChIKeyXRDMWBXCUQWWRX-UHFFFAOYSA-N
MW521.02 g/mol
LogP7.98
Rot. Bonds2

About hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)

hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide) (PubChem CID 140767491) has the molecular formula C26H30Hf-2 and a molecular weight of 521.02 g/mol. Its IUPAC name is hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide).

Molecular Properties

Compound Namehafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
PubChem CID140767491
Molecular FormulaC26H30Hf-2
Molecular Weight521.02 g/mol
Exact Mass522.18
IUPAC Namehafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
SMILESCc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.[Hf]
InChIInChI=1S/2C13H15.Hf/c2*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;/h2*4-9H,1-3H3;/q2*-1;
InChIKeyXRDMWBXCUQWWRX-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 57.98
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(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 18326867
CID 87865792
CID 87865792
dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide
CID 173178603
bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
CID 161434563
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174405016
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
bis(2-ethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)furan);zirconium(4+);dichloride
CID 18420413
CID 173229784
CID 173229784
CID 173063837
CID 173063837
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595

Frequently Asked Questions

What is the IUPAC name of hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)?
The IUPAC name of hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide) (CID 140767491) is hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide).
What is the SMILES notation for hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)?
The canonical SMILES for hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide) is Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.[Hf].
What is the InChIKey of hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)?
The InChIKey is XRDMWBXCUQWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15.Hf/c2*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;/h2*4-9H,1-3H3;/q2*-1;.
What are the key properties of hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)?
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide) has a molecular weight of 521.02 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide) is sourced from PubChem (CID 140767491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).