potassium;ethanolate;octadecanoic acid

C20H41KO3 — CID 139410611

IUPACpotassium;ethanolate;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CC[O-].[K+]
InChIInChI=1S/C18H36O2.C2H5O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);2H2,1H3;/q;-1;+1
InChIKeyNQBMZFMIOVEPSJ-UHFFFAOYSA-N
MW368.64 g/mol
LogP2.70
Rot. Bonds16

About potassium;ethanolate;octadecanoic acid

potassium;ethanolate;octadecanoic acid (PubChem CID 139410611) has the molecular formula C20H41KO3 and a molecular weight of 368.64 g/mol. Its IUPAC name is potassium;ethanolate;octadecanoic acid.

Molecular Properties

Compound Namepotassium;ethanolate;octadecanoic acid
PubChem CID139410611
Molecular FormulaC20H41KO3
Molecular Weight368.64 g/mol
Exact Mass368.27
IUPAC Namepotassium;ethanolate;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CC[O-].[K+]
InChIInChI=1S/C18H36O2.C2H5O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);2H2,1H3;/q;-1;+1
InChIKeyNQBMZFMIOVEPSJ-UHFFFAOYSA-N
XLogP2.70
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;barium(2+);hexadecanoic acid;octadecanoic acid
CID 175848014
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of potassium;ethanolate;octadecanoic acid?
The IUPAC name of potassium;ethanolate;octadecanoic acid (CID 139410611) is potassium;ethanolate;octadecanoic acid.
What is the SMILES notation for potassium;ethanolate;octadecanoic acid?
The canonical SMILES for potassium;ethanolate;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.CC[O-].[K+].
What is the InChIKey of potassium;ethanolate;octadecanoic acid?
The InChIKey is NQBMZFMIOVEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H5O.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);2H2,1H3;/q;-1;+1.
What are the key properties of potassium;ethanolate;octadecanoic acid?
potassium;ethanolate;octadecanoic acid has a molecular weight of 368.64 g/mol, XLogP of 2.70, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethanolate;octadecanoic acid is sourced from PubChem (CID 139410611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).