potassium octadecanoate

C18H35KO2 — CID 23673840

IUPACpotassium octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyANBFRLKBEIFNQU-UHFFFAOYSA-M
MW322.57 g/mol
LogP2.00
Rot. Bonds16

About potassium octadecanoate

potassium octadecanoate (PubChem CID 23673840) has the molecular formula C18H35KO2 and a molecular weight of 322.57 g/mol. Its IUPAC name is potassium octadecanoate.

Molecular Properties

Compound Namepotassium octadecanoate
PubChem CID23673840
Molecular FormulaC18H35KO2
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Namepotassium octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyANBFRLKBEIFNQU-UHFFFAOYSA-M
XLogP2.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 octadecanoate?
The IUPAC name of potassium octadecanoate (CID 23673840) is potassium octadecanoate.
What is the SMILES notation for potassium octadecanoate?
The canonical SMILES for potassium octadecanoate is CCCCCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium octadecanoate?
The InChIKey is ANBFRLKBEIFNQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of potassium octadecanoate?
potassium octadecanoate has a molecular weight of 322.57 g/mol, XLogP of 2.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium octadecanoate is sourced from PubChem (CID 23673840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).