potassium;benzene;hydrate

C6H7KO — CID 174848030

IUPACpotassium;benzene;hydrate
SMILESO.[K+].[c-]1ccccc1
InChIInChI=1S/C6H5.K.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q-1;+1;
InChIKeyXFDQQWHSZBRNNQ-UHFFFAOYSA-N
MW134.22 g/mol
LogP-2.33
Rot. Bonds

About potassium;benzene;hydrate

potassium;benzene;hydrate (PubChem CID 174848030) has the molecular formula C6H7KO and a molecular weight of 134.22 g/mol. Its IUPAC name is potassium;benzene;hydrate.

Molecular Properties

Compound Namepotassium;benzene;hydrate
PubChem CID174848030
Molecular FormulaC6H7KO
Molecular Weight134.22 g/mol
Exact Mass134.01
IUPAC Namepotassium;benzene;hydrate
SMILESO.[K+].[c-]1ccccc1
InChIInChI=1S/C6H5.K.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q-1;+1;
InChIKeyXFDQQWHSZBRNNQ-UHFFFAOYSA-N
XLogP-2.33
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-2.33
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 potassium;benzene;hydrate?
The IUPAC name of potassium;benzene;hydrate (CID 174848030) is potassium;benzene;hydrate.
What is the SMILES notation for potassium;benzene;hydrate?
The canonical SMILES for potassium;benzene;hydrate is O.[K+].[c-]1ccccc1.
What is the InChIKey of potassium;benzene;hydrate?
The InChIKey is XFDQQWHSZBRNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.K.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q-1;+1;.
What are the key properties of potassium;benzene;hydrate?
potassium;benzene;hydrate has a molecular weight of 134.22 g/mol, XLogP of -2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzene;hydrate is sourced from PubChem (CID 174848030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).