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

C15H31HfN3 — CID 155667440

IUPACtris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCC(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C9H13.3C2H6N.Hf/c1-8(2)7-9-5-3-4-6-9;3*1-3-2;/h3-6,8H,7H2,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyFGEISUFAJQWKNE-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.46
Rot. Bonds2

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

tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene (PubChem CID 155667440) has the molecular formula C15H31HfN3 and a molecular weight of 431.92 g/mol. Its IUPAC name is tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Nametris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene
PubChem CID155667440
Molecular FormulaC15H31HfN3
Molecular Weight431.92 g/mol
Exact Mass433.20
IUPAC Nametris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCC(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C9H13.3C2H6N.Hf/c1-8(2)7-9-5-3-4-6-9;3*1-3-2;/h3-6,8H,7H2,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyFGEISUFAJQWKNE-UHFFFAOYSA-N
XLogP4.46
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.46
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);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene?
The IUPAC name of tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene (CID 155667440) is tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene.
What is the SMILES notation for tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene?
The canonical SMILES for tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene is CC(C)C[c-]1cccc1.C[N-]C.C[N-]C.C[N-]C.[Hf+4].
What is the InChIKey of tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene?
The InChIKey is FGEISUFAJQWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.3C2H6N.Hf/c1-8(2)7-9-5-3-4-6-9;3*1-3-2;/h3-6,8H,7H2,1-2H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene?
tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene has a molecular weight of 431.92 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);hafnium(4+);5-(2-methylpropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 155667440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).