carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)

C16H24Hf — CID 140501181

IUPACcarbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C7H9.2CH3.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H3;/q4*-1;+4
InChIKeyGAAZCDWJPXOCLE-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.07
Rot. Bonds2

About carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)

carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+) (PubChem CID 140501181) has the molecular formula C16H24Hf and a molecular weight of 394.86 g/mol. Its IUPAC name is carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+).

Molecular Properties

Compound Namecarbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
PubChem CID140501181
Molecular FormulaC16H24Hf
Molecular Weight394.86 g/mol
Exact Mass396.13
IUPAC Namecarbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C7H9.2CH3.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H3;/q4*-1;+4
InChIKeyGAAZCDWJPXOCLE-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.07
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(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 87203276
carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
CID 87198937
2-ethylcyclopenta-1,3-diene;methanone;tungsten
CID 173030270
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87477496
bis(2-butylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 22323867
CID 173242746
CID 173242746

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)?
The IUPAC name of carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+) (CID 140501181) is carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+).
What is the SMILES notation for carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)?
The canonical SMILES for carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+) is CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)?
The InChIKey is GAAZCDWJPXOCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.2CH3.Hf/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)?
carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+) has a molecular weight of 394.86 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+) is sourced from PubChem (CID 140501181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).