potassium (2-hydroxyacetyl) dodecanoate

C14H26KO4+ — CID 21428552

IUPACpotassium (2-hydroxyacetyl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CO.[K+]
InChIInChI=1S/C14H26O4.K/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;/h15H,2-12H2,1H3;/q;+1
InChIKeyFHBCFMAMZIQSNN-UHFFFAOYSA-N
MW297.46 g/mol
LogP-0.03
Rot. Bonds11

About potassium (2-hydroxyacetyl) dodecanoate

potassium (2-hydroxyacetyl) dodecanoate (PubChem CID 21428552) has the molecular formula C14H26KO4+ and a molecular weight of 297.46 g/mol. Its IUPAC name is potassium (2-hydroxyacetyl) dodecanoate.

Molecular Properties

Compound Namepotassium (2-hydroxyacetyl) dodecanoate
PubChem CID21428552
Molecular FormulaC14H26KO4+
Molecular Weight297.46 g/mol
Exact Mass297.15
IUPAC Namepotassium (2-hydroxyacetyl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CO.[K+]
InChIInChI=1S/C14H26O4.K/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;/h15H,2-12H2,1H3;/q;+1
InChIKeyFHBCFMAMZIQSNN-UHFFFAOYSA-N
XLogP-0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyacetyl) octanoate;titanium
CID 88697919
dodecanoyl dodecanoate;ethanol
CID 157135932
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of potassium (2-hydroxyacetyl) dodecanoate?
The IUPAC name of potassium (2-hydroxyacetyl) dodecanoate (CID 21428552) is potassium (2-hydroxyacetyl) dodecanoate.
What is the SMILES notation for potassium (2-hydroxyacetyl) dodecanoate?
The canonical SMILES for potassium (2-hydroxyacetyl) dodecanoate is CCCCCCCCCCCC(=O)OC(=O)CO.[K+].
What is the InChIKey of potassium (2-hydroxyacetyl) dodecanoate?
The InChIKey is FHBCFMAMZIQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.K/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;/h15H,2-12H2,1H3;/q;+1.
What are the key properties of potassium (2-hydroxyacetyl) dodecanoate?
potassium (2-hydroxyacetyl) dodecanoate has a molecular weight of 297.46 g/mol, XLogP of -0.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-hydroxyacetyl) dodecanoate is sourced from PubChem (CID 21428552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).