potassium propan-1-olate

C3H6KO- — CID 177398361

IUPACpotassium propan-1-olate
SMILES[CH2-]CC[O-].[K+]
InChIInChI=1S/C3H6O.K/c1-2-3-4;/h1-3H2;/q-2;+1
InChIKeyHEXIMLCYLRDKIH-UHFFFAOYSA-N
MW97.18 g/mol
LogP-3.43
Rot. Bonds1

About potassium propan-1-olate

potassium propan-1-olate (PubChem CID 177398361) has the molecular formula C3H6KO- and a molecular weight of 97.18 g/mol. Its IUPAC name is potassium propan-1-olate.

Molecular Properties

Compound Namepotassium propan-1-olate
PubChem CID177398361
Molecular FormulaC3H6KO-
Molecular Weight97.18 g/mol
Exact Mass97.01
IUPAC Namepotassium propan-1-olate
SMILES[CH2-]CC[O-].[K+]
InChIInChI=1S/C3H6O.K/c1-2-3-4;/h1-3H2;/q-2;+1
InChIKeyHEXIMLCYLRDKIH-UHFFFAOYSA-N
XLogP-3.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.18
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimagnesium;butan-1-olate;dibromide
CID 166060204
dimagnesium;pentan-1-olate;dichloride
CID 166060237
dimagnesium;decan-1-olate;dichloride
CID 134889916
propan-1-amine;tris(propan-1-olate);titanium(4+)
CID 161458691
magnesium;butane;pentan-1-olate
CID 141190772
butane;chromium(2+)
CID 175688495
butane;tris(yttrium)
CID 172500610
disodium;butane
CID 25150770
potassium;butane;trihydrofluoride
CID 175562651
trimagnesium;9-chlorononan-1-olate;methane;nonan-1-olate;trichloride
CID 161310817
potassium hydroxymethanolate
CID 57421782
potassium ethanolate
CID 23670592

Frequently Asked Questions

What is the IUPAC name of potassium propan-1-olate?
The IUPAC name of potassium propan-1-olate (CID 177398361) is potassium propan-1-olate.
What is the SMILES notation for potassium propan-1-olate?
The canonical SMILES for potassium propan-1-olate is [CH2-]CC[O-].[K+].
What is the InChIKey of potassium propan-1-olate?
The InChIKey is HEXIMLCYLRDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.K/c1-2-3-4;/h1-3H2;/q-2;+1.
What are the key properties of potassium propan-1-olate?
potassium propan-1-olate has a molecular weight of 97.18 g/mol, XLogP of -3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium propan-1-olate is sourced from PubChem (CID 177398361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).