tetrakis(heptane);zirconium(4+)

C28H60Zr — CID 154501032

IUPACtetrakis(heptane);zirconium(4+)
SMILES[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[Zr+4]
InChIInChI=1S/4C7H15.Zr/c4*1-3-5-7-6-4-2;/h4*1,3-7H2,2H3;/q4*-1;+4
InChIKeyAJCXFUHDGXXIOC-UHFFFAOYSA-N
MW488.01 g/mol
LogP11.16
Rot. Bonds16

About tetrakis(heptane);zirconium(4+)

tetrakis(heptane);zirconium(4+) (PubChem CID 154501032) has the molecular formula C28H60Zr and a molecular weight of 488.01 g/mol. Its IUPAC name is tetrakis(heptane);zirconium(4+).

Molecular Properties

Compound Nametetrakis(heptane);zirconium(4+)
PubChem CID154501032
Molecular FormulaC28H60Zr
Molecular Weight488.01 g/mol
Exact Mass486.37
IUPAC Nametetrakis(heptane);zirconium(4+)
SMILES[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[Zr+4]
InChIInChI=1S/4C7H15.Zr/c4*1-3-5-7-6-4-2;/h4*1,3-7H2,2H3;/q4*-1;+4
InChIKeyAJCXFUHDGXXIOC-UHFFFAOYSA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tetrakis(heptane);zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(dodecane);zirconium(4+)
CID 173426195
nonane;zirconium(4+);trihydroxide
CID 172793707
heptadecane
CID 156905849
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
lithium heptadecane
CID 12950399
manganese;tetradecane
CID 173260191

Frequently Asked Questions

What is the IUPAC name of tetrakis(heptane);zirconium(4+)?
The IUPAC name of tetrakis(heptane);zirconium(4+) (CID 154501032) is tetrakis(heptane);zirconium(4+).
What is the SMILES notation for tetrakis(heptane);zirconium(4+)?
The canonical SMILES for tetrakis(heptane);zirconium(4+) is [CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[Zr+4].
What is the InChIKey of tetrakis(heptane);zirconium(4+)?
The InChIKey is AJCXFUHDGXXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15.Zr/c4*1-3-5-7-6-4-2;/h4*1,3-7H2,2H3;/q4*-1;+4.
What are the key properties of tetrakis(heptane);zirconium(4+)?
tetrakis(heptane);zirconium(4+) has a molecular weight of 488.01 g/mol, XLogP of 11.16, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(heptane);zirconium(4+) is sourced from PubChem (CID 154501032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).