potassium 3-oxidooxyprop-1-ene

C3H5KO2 — CID 23387182

IUPACpotassium 3-oxidooxyprop-1-ene
SMILESC=CCO[O-].[K+]
InChIInChI=1S/C3H6O2.K/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1
InChIKeyWJGUFNNUWRCHMJ-UHFFFAOYSA-M
MW112.17 g/mol
LogP-3.53
Rot. Bonds2

About potassium 3-oxidooxyprop-1-ene

potassium 3-oxidooxyprop-1-ene (PubChem CID 23387182) has the molecular formula C3H5KO2 and a molecular weight of 112.17 g/mol. Its IUPAC name is potassium 3-oxidooxyprop-1-ene.

Molecular Properties

Compound Namepotassium 3-oxidooxyprop-1-ene
PubChem CID23387182
Molecular FormulaC3H5KO2
Molecular Weight112.17 g/mol
Exact Mass111.99
IUPAC Namepotassium 3-oxidooxyprop-1-ene
SMILESC=CCO[O-].[K+]
InChIInChI=1S/C3H6O2.K/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1
InChIKeyWJGUFNNUWRCHMJ-UHFFFAOYSA-M
XLogP-3.53
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-oxidooxyprop-1-ene?
The IUPAC name of potassium 3-oxidooxyprop-1-ene (CID 23387182) is potassium 3-oxidooxyprop-1-ene.
What is the SMILES notation for potassium 3-oxidooxyprop-1-ene?
The canonical SMILES for potassium 3-oxidooxyprop-1-ene is C=CCO[O-].[K+].
What is the InChIKey of potassium 3-oxidooxyprop-1-ene?
The InChIKey is WJGUFNNUWRCHMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.K/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1.
What are the key properties of potassium 3-oxidooxyprop-1-ene?
potassium 3-oxidooxyprop-1-ene has a molecular weight of 112.17 g/mol, XLogP of -3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-oxidooxyprop-1-ene is sourced from PubChem (CID 23387182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).