potassium;acetaldehyde;chloride

C2H4ClKO — CID 174943884

IUPACpotassium;acetaldehyde;chloride
SMILESCC=O.[Cl-].[K+]
InChIInChI=1S/C2H4O.ClH.K/c1-2-3;;/h2H,1H3;1H;/q;;+1/p-1
InChIKeyCPTLJZWEQRDSPH-UHFFFAOYSA-M
MW118.60 g/mol
LogP-5.79
Rot. Bonds

About potassium;acetaldehyde;chloride

potassium;acetaldehyde;chloride (PubChem CID 174943884) has the molecular formula C2H4ClKO and a molecular weight of 118.60 g/mol. Its IUPAC name is potassium;acetaldehyde;chloride.

Molecular Properties

Compound Namepotassium;acetaldehyde;chloride
PubChem CID174943884
Molecular FormulaC2H4ClKO
Molecular Weight118.60 g/mol
Exact Mass117.96
IUPAC Namepotassium;acetaldehyde;chloride
SMILESCC=O.[Cl-].[K+]
InChIInChI=1S/C2H4O.ClH.K/c1-2-3;;/h2H,1H3;1H;/q;;+1/p-1
InChIKeyCPTLJZWEQRDSPH-UHFFFAOYSA-M
XLogP-5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.60
LogP ≤ 5-5.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze potassium;acetaldehyde;chloride 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 potassium;acetaldehyde;chloride?
The IUPAC name of potassium;acetaldehyde;chloride (CID 174943884) is potassium;acetaldehyde;chloride.
What is the SMILES notation for potassium;acetaldehyde;chloride?
The canonical SMILES for potassium;acetaldehyde;chloride is CC=O.[Cl-].[K+].
What is the InChIKey of potassium;acetaldehyde;chloride?
The InChIKey is CPTLJZWEQRDSPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O.ClH.K/c1-2-3;;/h2H,1H3;1H;/q;;+1/p-1.
What are the key properties of potassium;acetaldehyde;chloride?
potassium;acetaldehyde;chloride has a molecular weight of 118.60 g/mol, XLogP of -5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetaldehyde;chloride is sourced from PubChem (CID 174943884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).