potassium hexan-1-olate

C6H13KO — CID 23698043

IUPACpotassium hexan-1-olate
SMILESCCCCCC[O-].[K+]
InChIInChI=1S/C6H13O.K/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1
InChIKeyKHVUAGZNRQSQGO-UHFFFAOYSA-N
MW140.27 g/mol
LogP-2.07
Rot. Bonds4

About potassium hexan-1-olate

potassium hexan-1-olate (PubChem CID 23698043) has the molecular formula C6H13KO and a molecular weight of 140.27 g/mol. Its IUPAC name is potassium hexan-1-olate.

Molecular Properties

Compound Namepotassium hexan-1-olate
PubChem CID23698043
Molecular FormulaC6H13KO
Molecular Weight140.27 g/mol
Exact Mass140.06
IUPAC Namepotassium hexan-1-olate
SMILESCCCCCC[O-].[K+]
InChIInChI=1S/C6H13O.K/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1
InChIKeyKHVUAGZNRQSQGO-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 5-2.07
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 hexan-1-olate?
The IUPAC name of potassium hexan-1-olate (CID 23698043) is potassium hexan-1-olate.
What is the SMILES notation for potassium hexan-1-olate?
The canonical SMILES for potassium hexan-1-olate is CCCCCC[O-].[K+].
What is the InChIKey of potassium hexan-1-olate?
The InChIKey is KHVUAGZNRQSQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.K/c1-2-3-4-5-6-7;/h2-6H2,1H3;/q-1;+1.
What are the key properties of potassium hexan-1-olate?
potassium hexan-1-olate has a molecular weight of 140.27 g/mol, XLogP of -2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexan-1-olate is sourced from PubChem (CID 23698043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).