propane;zirconium(3+)

C9H21Zr — CID 175523428

IUPACpropane;zirconium(3+)
SMILESC[CH-]C.C[CH-]C.C[CH-]C.[Zr+3]
InChIInChI=1S/3C3H7.Zr/c3*1-3-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyBHFKIVWHCPQEJI-UHFFFAOYSA-N
MW220.49 g/mol
LogP3.69
Rot. Bonds

About propane;zirconium(3+)

propane;zirconium(3+) (PubChem CID 175523428) has the molecular formula C9H21Zr and a molecular weight of 220.49 g/mol. Its IUPAC name is propane;zirconium(3+).

Molecular Properties

Compound Namepropane;zirconium(3+)
PubChem CID175523428
Molecular FormulaC9H21Zr
Molecular Weight220.49 g/mol
Exact Mass219.07
IUPAC Namepropane;zirconium(3+)
SMILESC[CH-]C.C[CH-]C.C[CH-]C.[Zr+3]
InChIInChI=1S/3C3H7.Zr/c3*1-3-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyBHFKIVWHCPQEJI-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.49
LogP ≤ 53.69
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 propane;zirconium(3+)?
The IUPAC name of propane;zirconium(3+) (CID 175523428) is propane;zirconium(3+).
What is the SMILES notation for propane;zirconium(3+)?
The canonical SMILES for propane;zirconium(3+) is C[CH-]C.C[CH-]C.C[CH-]C.[Zr+3].
What is the InChIKey of propane;zirconium(3+)?
The InChIKey is BHFKIVWHCPQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7.Zr/c3*1-3-2;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of propane;zirconium(3+)?
propane;zirconium(3+) has a molecular weight of 220.49 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;zirconium(3+) is sourced from PubChem (CID 175523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).