azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride

C13H23Cl2NZr — CID 87392267

IUPACazanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[C-](C(C)C)C(C)(C)C1=CC=CC1.[Cl-].[Cl-].[NH2-].[Zr+4]
InChIInChI=1S/C13H21.2ClH.H2N.Zr/c1-10(2)11(3)13(4,5)12-8-6-7-9-12;;;;/h6-8,10H,9H2,1-5H3;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyXTDOYKIZWTVOEO-UHFFFAOYSA-L
MW355.46 g/mol
LogP-1.13
Rot. Bonds3

About azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride

azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 87392267) has the molecular formula C13H23Cl2NZr and a molecular weight of 355.46 g/mol. Its IUPAC name is azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Nameazanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID87392267
Molecular FormulaC13H23Cl2NZr
Molecular Weight355.46 g/mol
Exact Mass353.03
IUPAC Nameazanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[C-](C(C)C)C(C)(C)C1=CC=CC1.[Cl-].[Cl-].[NH2-].[Zr+4]
InChIInChI=1S/C13H21.2ClH.H2N.Zr/c1-10(2)11(3)13(4,5)12-8-6-7-9-12;;;;/h6-8,10H,9H2,1-5H3;2*1H;1H2;/q-1;;;-1;+4/p-2
InChIKeyXTDOYKIZWTVOEO-UHFFFAOYSA-L
XLogP-1.13
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-1.13
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 azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride (CID 87392267) is azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride is C[C-](C(C)C)C(C)(C)C1=CC=CC1.[Cl-].[Cl-].[NH2-].[Zr+4].
What is the InChIKey of azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is XTDOYKIZWTVOEO-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H21.2ClH.H2N.Zr/c1-10(2)11(3)13(4,5)12-8-6-7-9-12;;;;/h6-8,10H,9H2,1-5H3;2*1H;1H2;/q-1;;;-1;+4/p-2.
What are the key properties of azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride?
azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 355.46 g/mol, XLogP of -1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 87392267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).