tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)

C16H33HfN3 — CID 155667467

IUPACtris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)
SMILESCC(C)(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H6N.Hf/c1-10(2,3)8-9-6-4-5-7-9;3*1-3-2;/h4-7H,8H2,1-3H3;3*1-2H3;/q4*-1;+4
InChIKeyONYVXRXSEZNZEY-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.85
Rot. Bonds1

About tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)

tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+) (PubChem CID 155667467) has the molecular formula C16H33HfN3 and a molecular weight of 445.95 g/mol. Its IUPAC name is tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)
PubChem CID155667467
Molecular FormulaC16H33HfN3
Molecular Weight445.95 g/mol
Exact Mass447.21
IUPAC Nametris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)
SMILESCC(C)(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H6N.Hf/c1-10(2,3)8-9-6-4-5-7-9;3*1-3-2;/h4-7H,8H2,1-3H3;3*1-2H3;/q4*-1;+4
InChIKeyONYVXRXSEZNZEY-UHFFFAOYSA-N
XLogP4.85
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.85
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 tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)?
The IUPAC name of tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+) (CID 155667467) is tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+).
What is the SMILES notation for tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)?
The canonical SMILES for tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+) is CC(C)(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4].
What is the InChIKey of tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)?
The InChIKey is ONYVXRXSEZNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C2H6N.Hf/c1-10(2,3)8-9-6-4-5-7-9;3*1-3-2;/h4-7H,8H2,1-3H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+)?
tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+) has a molecular weight of 445.95 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);5-(2,2-dimethylpropyl)cyclopenta-1,3-diene;hafnium(4+) is sourced from PubChem (CID 155667467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).