potassium but-1-en-1-olate

C4H7KO — CID 141006026

IUPACpotassium but-1-en-1-olate
SMILESCCC=C[O-].[K+]
InChIInChI=1S/C4H8O.K/c1-2-3-4-5;/h3-5H,2H2,1H3;/q;+1/p-1
InChIKeyVNRBBIXTXKLKJI-UHFFFAOYSA-M
MW110.20 g/mol
LogP-2.73
Rot. Bonds1

About potassium but-1-en-1-olate

potassium but-1-en-1-olate (PubChem CID 141006026) has the molecular formula C4H7KO and a molecular weight of 110.20 g/mol. Its IUPAC name is potassium but-1-en-1-olate.

Molecular Properties

Compound Namepotassium but-1-en-1-olate
PubChem CID141006026
Molecular FormulaC4H7KO
Molecular Weight110.20 g/mol
Exact Mass110.01
IUPAC Namepotassium but-1-en-1-olate
SMILESCCC=C[O-].[K+]
InChIInChI=1S/C4H8O.K/c1-2-3-4-5;/h3-5H,2H2,1H3;/q;+1/p-1
InChIKeyVNRBBIXTXKLKJI-UHFFFAOYSA-M
XLogP-2.73
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium but-1-en-1-olate?
The IUPAC name of potassium but-1-en-1-olate (CID 141006026) is potassium but-1-en-1-olate.
What is the SMILES notation for potassium but-1-en-1-olate?
The canonical SMILES for potassium but-1-en-1-olate is CCC=C[O-].[K+].
What is the InChIKey of potassium but-1-en-1-olate?
The InChIKey is VNRBBIXTXKLKJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.K/c1-2-3-4-5;/h3-5H,2H2,1H3;/q;+1/p-1.
What are the key properties of potassium but-1-en-1-olate?
potassium but-1-en-1-olate has a molecular weight of 110.20 g/mol, XLogP of -2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium but-1-en-1-olate is sourced from PubChem (CID 141006026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).