carbanide;3-methylpentane;zirconium(3+)

C8H19Zr — CID 23519259

IUPACcarbanide;3-methylpentane;zirconium(3+)
SMILESC[CH-]C(C)CC.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C6H13.2CH3.Zr/c1-4-6(3)5-2;;;/h4,6H,5H2,1-3H3;2*1H3;/q3*-1;+3
InChIKeyALPKRYCERZOFPO-UHFFFAOYSA-N
MW206.46 g/mol
LogP3.15
Rot. Bonds2

About carbanide;3-methylpentane;zirconium(3+)

carbanide;3-methylpentane;zirconium(3+) (PubChem CID 23519259) has the molecular formula C8H19Zr and a molecular weight of 206.46 g/mol. Its IUPAC name is carbanide;3-methylpentane;zirconium(3+).

Molecular Properties

Compound Namecarbanide;3-methylpentane;zirconium(3+)
PubChem CID23519259
Molecular FormulaC8H19Zr
Molecular Weight206.46 g/mol
Exact Mass205.05
IUPAC Namecarbanide;3-methylpentane;zirconium(3+)
SMILESC[CH-]C(C)CC.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C6H13.2CH3.Zr/c1-4-6(3)5-2;;;/h4,6H,5H2,1-3H3;2*1H3;/q3*-1;+3
InChIKeyALPKRYCERZOFPO-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.46
LogP ≤ 53.15
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

ethane;3-methylpentane;tungsten(2+)
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CID 20596970
CID 20596970
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
2,5-dimethylheptane
CID 90751376
1-methoxy-2-methylbutane
CID 123433136
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
[(2S)-butan-2-yl]arsane
CID 173469724
CID 164983427
CID 164983427
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylpentane;zirconium(3+)?
The IUPAC name of carbanide;3-methylpentane;zirconium(3+) (CID 23519259) is carbanide;3-methylpentane;zirconium(3+).
What is the SMILES notation for carbanide;3-methylpentane;zirconium(3+)?
The canonical SMILES for carbanide;3-methylpentane;zirconium(3+) is C[CH-]C(C)CC.[CH3-].[CH3-].[Zr+3].
What is the InChIKey of carbanide;3-methylpentane;zirconium(3+)?
The InChIKey is ALPKRYCERZOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.2CH3.Zr/c1-4-6(3)5-2;;;/h4,6H,5H2,1-3H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;3-methylpentane;zirconium(3+)?
carbanide;3-methylpentane;zirconium(3+) has a molecular weight of 206.46 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylpentane;zirconium(3+) is sourced from PubChem (CID 23519259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).