Common NameDecanoate
DescriptionDecanoate (n-c10:0) belongs to the class of Carboxylic Acid Salts. These are ionic derivatives of carboxylic acid. (inferred from compound structure)Decanoate (n-c10:0) is invovled in Fatty acid biosynthesis. (KEGG)Decanoic acid, or capric acid, is a saturated fatty acid. Its formula is CH3(CH2)8COOH. Salts and esters of decanoic acid are called decanoates. The term capric acid arises from the Latin capric which pertains to goats due to their olfactory similarities. Capric acid occurs naturally in coconut oil and palm kernel oil, as well as in the milk of various mammals and to a lesser extent in other animal fats. It is used in organic synthesis and industrially in the manufacture of perfumes, lubricants, greases, rubber, dyes, plastics, food additives and pharmaceuticals. Two other acids are named after goats: caproic (C6) and caprylic (C8). Along with decanoic acid, these total 15% in goat milk fat. (WikiPedia)
Structure
Molecular FormulaC10H19O2
Average Mass171.25670
Monoisotopic Mass171.13850
IUPAC Namedecanoic acid
Traditional NameDecanoic acid
CAS Registry NumberNot Available
SMILESCCCCCCCCCC(=O)[O-]
InChI IdentifierInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1
InChI KeyGHVNFZFCNZKVNT-UHFFFAOYSA-M
CHEBI IDCHEBI:27689
MiMeDB IDMMDBc0031606
StateExpected Solid
Water Solubility9.46e-02 g/l
logP3.93
logS-3.26
pKa (Strongest Acidic)4.95
pKa (Strongest Basic)Not Available
Hydrogen Acceptor Count2
Hydrogen Donor Count1
Polar Surface Area37.3 Ų
Rotatable Bond Count8
Physiological Charge-1
Formal Charge0
Refractivity49.48 m³·mol⁻¹
Polarizability21.61

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