2,4-diethyl-1H-inden-1-ide;hafnium;dichloride

C13H15Cl2Hf-3 — CID 159398719

IUPAC2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
SMILESCCc1cc2c(CC)cccc2[cH-]1.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C13H15.2ClH.Hf/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;/p-2
InChIKeyGZHSAMABCNXIAF-UHFFFAOYSA-L
MW420.66 g/mol
LogP-2.31
Rot. Bonds2

About 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride

2,4-diethyl-1H-inden-1-ide;hafnium;dichloride (PubChem CID 159398719) has the molecular formula C13H15Cl2Hf-3 and a molecular weight of 420.66 g/mol. Its IUPAC name is 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride.

Molecular Properties

Compound Name2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
PubChem CID159398719
Molecular FormulaC13H15Cl2Hf-3
Molecular Weight420.66 g/mol
Exact Mass421.00
IUPAC Name2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
SMILESCCc1cc2c(CC)cccc2[cH-]1.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C13H15.2ClH.Hf/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;/p-2
InChIKeyGZHSAMABCNXIAF-UHFFFAOYSA-L
XLogP-2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 5-2.31
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

dichlorozirconium;2,4-diethyl-1H-inden-1-ide
CID 173263602
CID 87823696
CID 87823696
2-ethyl-4-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174411637
CID 175828995
CID 175828995
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
CID 173192432
CID 173192432
CID 173313790
CID 173313790
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
CID 174376953
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride?
The IUPAC name of 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride (CID 159398719) is 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride.
What is the SMILES notation for 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride?
The canonical SMILES for 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride is CCc1cc2c(CC)cccc2[cH-]1.[Cl-].[Cl-].[Hf].
What is the InChIKey of 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride?
The InChIKey is GZHSAMABCNXIAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.2ClH.Hf/c1-3-10-8-12-7-5-6-11(4-2)13(12)9-10;;;/h5-9H,3-4H2,1-2H3;2*1H;/q-1;;;/p-2.
What are the key properties of 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride?
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride has a molecular weight of 420.66 g/mol, XLogP of -2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1H-inden-1-ide;hafnium;dichloride is sourced from PubChem (CID 159398719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).