hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

C18H22Hf+2 — CID 22633752

IUPAChafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILES[Hf+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*3,6-7H,1-2,4-5H2;/q2*-1;+4
InChIKeyMKZCPUKCPNUERX-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.57
Rot. Bonds

About hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (PubChem CID 22633752) has the molecular formula C18H22Hf+2 and a molecular weight of 416.86 g/mol. Its IUPAC name is hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide).

Molecular Properties

Compound Namehafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
PubChem CID22633752
Molecular FormulaC18H22Hf+2
Molecular Weight416.86 g/mol
Exact Mass418.12
IUPAC Namehafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILES[Hf+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*3,6-7H,1-2,4-5H2;/q2*-1;+4
InChIKeyMKZCPUKCPNUERX-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The IUPAC name of hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (CID 22633752) is hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide).
What is the SMILES notation for hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The canonical SMILES for hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is [Hf+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The InChIKey is MKZCPUKCPNUERX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*3,6-7H,1-2,4-5H2;/q2*-1;+4.
What are the key properties of hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide) has a molecular weight of 416.86 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is sourced from PubChem (CID 22633752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).