potassium;tris(benzene-1,2-diolate);titanium(4+)

C18H12KO6Ti- — CID 45028156

IUPACpotassium;tris(benzene-1,2-diolate);titanium(4+)
SMILES[K+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ti+4]
InChIInChI=1S/3C6H6O2.K.Ti/c3*7-5-3-1-2-4-6(5)8;;/h3*1-4,7-8H;;/q;;;+1;+4/p-6
InChIKeyUAMWYZLDFUMPPV-UHFFFAOYSA-H
MW411.25 g/mol
LogP-3.50
Rot. Bonds

About potassium;tris(benzene-1,2-diolate);titanium(4+)

potassium;tris(benzene-1,2-diolate);titanium(4+) (PubChem CID 45028156) has the molecular formula C18H12KO6Ti- and a molecular weight of 411.25 g/mol. Its IUPAC name is potassium;tris(benzene-1,2-diolate);titanium(4+).

Molecular Properties

Compound Namepotassium;tris(benzene-1,2-diolate);titanium(4+)
PubChem CID45028156
Molecular FormulaC18H12KO6Ti-
Molecular Weight411.25 g/mol
Exact Mass410.98
IUPAC Namepotassium;tris(benzene-1,2-diolate);titanium(4+)
SMILES[K+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ti+4]
InChIInChI=1S/3C6H6O2.K.Ti/c3*7-5-3-1-2-4-6(5)8;;/h3*1-4,7-8H;;/q;;;+1;+4/p-6
InChIKeyUAMWYZLDFUMPPV-UHFFFAOYSA-H
XLogP-3.50
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;tris(benzene-1,2-diolate);titanium(4+)?
The IUPAC name of potassium;tris(benzene-1,2-diolate);titanium(4+) (CID 45028156) is potassium;tris(benzene-1,2-diolate);titanium(4+).
What is the SMILES notation for potassium;tris(benzene-1,2-diolate);titanium(4+)?
The canonical SMILES for potassium;tris(benzene-1,2-diolate);titanium(4+) is [K+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ti+4].
What is the InChIKey of potassium;tris(benzene-1,2-diolate);titanium(4+)?
The InChIKey is UAMWYZLDFUMPPV-UHFFFAOYSA-H. The full InChI is InChI=1S/3C6H6O2.K.Ti/c3*7-5-3-1-2-4-6(5)8;;/h3*1-4,7-8H;;/q;;;+1;+4/p-6.
What are the key properties of potassium;tris(benzene-1,2-diolate);titanium(4+)?
potassium;tris(benzene-1,2-diolate);titanium(4+) has a molecular weight of 411.25 g/mol, XLogP of -3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tris(benzene-1,2-diolate);titanium(4+) is sourced from PubChem (CID 45028156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).