potassium;2-(2-hydroxyethoxy)ethanol;octanoate

C12H25KO5 — CID 162260496

IUPACpotassium;2-(2-hydroxyethoxy)ethanol;octanoate
SMILESCCCCCCCC(=O)[O-].OCCOCCO.[K+]
InChIInChI=1S/C8H16O2.C4H10O3.K/c1-2-3-4-5-6-7-8(9)10;5-1-3-7-4-2-6;/h2-7H2,1H3,(H,9,10);5-6H,1-4H2;/q;;+1/p-1
InChIKeyIDMVKVBJCAMVPG-UHFFFAOYSA-M
MW288.43 g/mol
LogP-2.91
Rot. Bonds10

About potassium;2-(2-hydroxyethoxy)ethanol;octanoate

potassium;2-(2-hydroxyethoxy)ethanol;octanoate (PubChem CID 162260496) has the molecular formula C12H25KO5 and a molecular weight of 288.43 g/mol. Its IUPAC name is potassium;2-(2-hydroxyethoxy)ethanol;octanoate.

Molecular Properties

Compound Namepotassium;2-(2-hydroxyethoxy)ethanol;octanoate
PubChem CID162260496
Molecular FormulaC12H25KO5
Molecular Weight288.43 g/mol
Exact Mass288.13
IUPAC Namepotassium;2-(2-hydroxyethoxy)ethanol;octanoate
SMILESCCCCCCCC(=O)[O-].OCCOCCO.[K+]
InChIInChI=1S/C8H16O2.C4H10O3.K/c1-2-3-4-5-6-7-8(9)10;5-1-3-7-4-2-6;/h2-7H2,1H3,(H,9,10);5-6H,1-4H2;/q;;+1/p-1
InChIKeyIDMVKVBJCAMVPG-UHFFFAOYSA-M
XLogP-2.91
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 5-2.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
11-butoxyundecanoate
CID 7614560
sodium;dodecanoate;ethane-1,2-diol
CID 23720166
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709

Frequently Asked Questions

What is the IUPAC name of potassium;2-(2-hydroxyethoxy)ethanol;octanoate?
The IUPAC name of potassium;2-(2-hydroxyethoxy)ethanol;octanoate (CID 162260496) is potassium;2-(2-hydroxyethoxy)ethanol;octanoate.
What is the SMILES notation for potassium;2-(2-hydroxyethoxy)ethanol;octanoate?
The canonical SMILES for potassium;2-(2-hydroxyethoxy)ethanol;octanoate is CCCCCCCC(=O)[O-].OCCOCCO.[K+].
What is the InChIKey of potassium;2-(2-hydroxyethoxy)ethanol;octanoate?
The InChIKey is IDMVKVBJCAMVPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.C4H10O3.K/c1-2-3-4-5-6-7-8(9)10;5-1-3-7-4-2-6;/h2-7H2,1H3,(H,9,10);5-6H,1-4H2;/q;;+1/p-1.
What are the key properties of potassium;2-(2-hydroxyethoxy)ethanol;octanoate?
potassium;2-(2-hydroxyethoxy)ethanol;octanoate has a molecular weight of 288.43 g/mol, XLogP of -2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(2-hydroxyethoxy)ethanol;octanoate is sourced from PubChem (CID 162260496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).