potassium pentan-1-olate

C5H11KO — CID 23689650

IUPACpotassium pentan-1-olate
SMILESCCCCC[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyHVOCMPMAOLOKRK-UHFFFAOYSA-N
MW126.24 g/mol
LogP-2.46
Rot. Bonds3

About potassium pentan-1-olate

potassium pentan-1-olate (PubChem CID 23689650) has the molecular formula C5H11KO and a molecular weight of 126.24 g/mol. Its IUPAC name is potassium pentan-1-olate.

Molecular Properties

Compound Namepotassium pentan-1-olate
PubChem CID23689650
Molecular FormulaC5H11KO
Molecular Weight126.24 g/mol
Exact Mass126.04
IUPAC Namepotassium pentan-1-olate
SMILESCCCCC[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyHVOCMPMAOLOKRK-UHFFFAOYSA-N
XLogP-2.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium pentan-1-olate?
The IUPAC name of potassium pentan-1-olate (CID 23689650) is potassium pentan-1-olate.
What is the SMILES notation for potassium pentan-1-olate?
The canonical SMILES for potassium pentan-1-olate is CCCCC[O-].[K+].
What is the InChIKey of potassium pentan-1-olate?
The InChIKey is HVOCMPMAOLOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.K/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1.
What are the key properties of potassium pentan-1-olate?
potassium pentan-1-olate has a molecular weight of 126.24 g/mol, XLogP of -2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pentan-1-olate is sourced from PubChem (CID 23689650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).