potassium;titanium(4+);pentachlorate

Cl5KO15Ti — CID 162222149

IUPACpotassium;titanium(4+);pentachlorate
SMILES[K+].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[Ti+4]
InChIInChI=1S/5ClO3.K.Ti/c5*2-1(3)4;;/q5*-1;+1;+4
InChIKeyJOTGKVLCCXEBKZ-UHFFFAOYSA-N
MW504.22 g/mol
LogP-20.83
Rot. Bonds

About potassium;titanium(4+);pentachlorate

potassium;titanium(4+);pentachlorate (PubChem CID 162222149) has the molecular formula Cl5KO15Ti and a molecular weight of 504.22 g/mol. Its IUPAC name is potassium;titanium(4+);pentachlorate.

Molecular Properties

Compound Namepotassium;titanium(4+);pentachlorate
PubChem CID162222149
Molecular FormulaCl5KO15Ti
Molecular Weight504.22 g/mol
Exact Mass501.68
IUPAC Namepotassium;titanium(4+);pentachlorate
SMILES[K+].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[Ti+4]
InChIInChI=1S/5ClO3.K.Ti/c5*2-1(3)4;;/q5*-1;+1;+4
InChIKeyJOTGKVLCCXEBKZ-UHFFFAOYSA-N
XLogP-20.83
TPSA345.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 5-20.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of potassium;titanium(4+);pentachlorate?
The IUPAC name of potassium;titanium(4+);pentachlorate (CID 162222149) is potassium;titanium(4+);pentachlorate.
What is the SMILES notation for potassium;titanium(4+);pentachlorate?
The canonical SMILES for potassium;titanium(4+);pentachlorate is [K+].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].[Ti+4].
What is the InChIKey of potassium;titanium(4+);pentachlorate?
The InChIKey is JOTGKVLCCXEBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5ClO3.K.Ti/c5*2-1(3)4;;/q5*-1;+1;+4.
What are the key properties of potassium;titanium(4+);pentachlorate?
potassium;titanium(4+);pentachlorate has a molecular weight of 504.22 g/mol, XLogP of -20.83, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;titanium(4+);pentachlorate is sourced from PubChem (CID 162222149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).