decanoic acid

Synonyms: "decanoic acid", "capric acid", "n-decanoic acid", "n-capric acid", "decylic acid", "decoic acid", "caprinic acid", "caprynic acid", "n-decylic acid", "n-decoic acid", "1-nonanecarboxylic acid", "tert-decanoic acid".

Source: Decanoic acid is a valuable compound used as precursor for industrial chemicals, pharmaceuticals, and biofuels.

Identifiers:

IUPAC Name: decanoic acid
CAS Number: 334-48-5
PubChem ID: 2969
InChiKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₀H₂₀O₂
Molecular Weight: 172.268

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Goodfriend TL, Lee WM, Ball DL, Elliott ME. 1995. Specificity and mechanism of fatty acid inhibition of aldosterone secretion. Prostaglandins Leukot Essent Fatty Acids 52(2-3):145-149. DOI: 10.1016/0952-3278(95)90013-6. URL: https://www.sciencedirect.com/science/article/pii/0952327895900136.