pentan-2-ylidenezirconium(2+)

C5H10Zr+2 — CID 158287335

IUPACpentan-2-ylidenezirconium(2+)
SMILESCCCC(C)=[Zr+2]
InChIInChI=1S/C5H10.Zr/c1-3-5-4-2;/h3,5H2,1-2H3;/q;+2
InChIKeyRPFNLDVWWRTWFW-UHFFFAOYSA-N
MW161.36 g/mol
LogP1.53
Rot. Bonds2

About pentan-2-ylidenezirconium(2+)

pentan-2-ylidenezirconium(2+) (PubChem CID 158287335) has the molecular formula C5H10Zr+2 and a molecular weight of 161.36 g/mol. Its IUPAC name is pentan-2-ylidenezirconium(2+).

Molecular Properties

Compound Namepentan-2-ylidenezirconium(2+)
PubChem CID158287335
Molecular FormulaC5H10Zr+2
Molecular Weight161.36 g/mol
Exact Mass159.98
IUPAC Namepentan-2-ylidenezirconium(2+)
SMILESCCCC(C)=[Zr+2]
InChIInChI=1S/C5H10.Zr/c1-3-5-4-2;/h3,5H2,1-2H3;/q;+2
InChIKeyRPFNLDVWWRTWFW-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentan-2-ylidenezirconium(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pentan-2-ylidenezirconium(2+)?
The IUPAC name of pentan-2-ylidenezirconium(2+) (CID 158287335) is pentan-2-ylidenezirconium(2+).
What is the SMILES notation for pentan-2-ylidenezirconium(2+)?
The canonical SMILES for pentan-2-ylidenezirconium(2+) is CCCC(C)=[Zr+2].
What is the InChIKey of pentan-2-ylidenezirconium(2+)?
The InChIKey is RPFNLDVWWRTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.Zr/c1-3-5-4-2;/h3,5H2,1-2H3;/q;+2.
What are the key properties of pentan-2-ylidenezirconium(2+)?
pentan-2-ylidenezirconium(2+) has a molecular weight of 161.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-ylidenezirconium(2+) is sourced from PubChem (CID 158287335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).