potassium 3-hydroxydodecanoate

C12H23KO3 — CID 171061524

IUPACpotassium 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)[O-].[K+]
InChIInChI=1S/C12H24O3.K/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyZOSDUXZPAMLNNY-UHFFFAOYSA-M
MW254.41 g/mol
LogP-1.37
Rot. Bonds10

About potassium 3-hydroxydodecanoate

potassium 3-hydroxydodecanoate (PubChem CID 171061524) has the molecular formula C12H23KO3 and a molecular weight of 254.41 g/mol. Its IUPAC name is potassium 3-hydroxydodecanoate.

Molecular Properties

Compound Namepotassium 3-hydroxydodecanoate
PubChem CID171061524
Molecular FormulaC12H23KO3
Molecular Weight254.41 g/mol
Exact Mass254.13
IUPAC Namepotassium 3-hydroxydodecanoate
SMILESCCCCCCCCCC(O)CC(=O)[O-].[K+]
InChIInChI=1S/C12H24O3.K/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyZOSDUXZPAMLNNY-UHFFFAOYSA-M
XLogP-1.37
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxyoctanoate
CID 86308677
potassium 5-hydroxyhexadecanoate
CID 171774657
5-hydroxyoctadecanoate
CID 126456525
3-hydroxydecanedioate
CID 20848938
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctadecanoic acid
CID 158545826
sodium;decane-1,2-diol;acetate
CID 162338833
sodium;dodecane-1,2-diol;acetate
CID 87531967
aluminum 12-hydroxyoctadecanoate
CID 21119248
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
CID 71432168
CID 71432168
3-hydroxyoctanoic acid
CID 159718411

Frequently Asked Questions

What is the IUPAC name of potassium 3-hydroxydodecanoate?
The IUPAC name of potassium 3-hydroxydodecanoate (CID 171061524) is potassium 3-hydroxydodecanoate.
What is the SMILES notation for potassium 3-hydroxydodecanoate?
The canonical SMILES for potassium 3-hydroxydodecanoate is CCCCCCCCCC(O)CC(=O)[O-].[K+].
What is the InChIKey of potassium 3-hydroxydodecanoate?
The InChIKey is ZOSDUXZPAMLNNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O3.K/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 3-hydroxydodecanoate?
potassium 3-hydroxydodecanoate has a molecular weight of 254.41 g/mol, XLogP of -1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-hydroxydodecanoate is sourced from PubChem (CID 171061524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).