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

C16H33HfN3 — CID 87214954

IUPACtris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H6N.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4
InChIKeyGEDCMSOSZUOYPY-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.97
Rot. Bonds

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

tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87214954) has the molecular formula C16H33HfN3 and a molecular weight of 445.95 g/mol. Its IUPAC name is tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nametris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87214954
Molecular FormulaC16H33HfN3
Molecular Weight445.95 g/mol
Exact Mass447.21
IUPAC Nametris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H6N.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4
InChIKeyGEDCMSOSZUOYPY-UHFFFAOYSA-N
XLogP4.97
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.97
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+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87214954) is tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Hf+4].
What is the InChIKey of tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is GEDCMSOSZUOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C2H6N.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 445.95 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87214954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).