Showing Metabocard for octadecanoate (BASm0001362)
| Common Name | Octadecanoate |
|---|---|
| Description | Octadecanoate (n-c18:0) belongs to the class of Straight Chain Fatty Acids. These are fatty acids with a straight aliphatic chain. (inferred from compound structure)Stearic acid (STAIR-ik or STEER-ik) is the saturated fatty acid with an 18 carbon chain and has the IUPAC name octadecanoic acid. It is a waxy solid, and its chemical formula is CH3(CH2)16CO2H. Its name comes from the Greek word στέαρ stéar, which means tallow. The salts and esters of stearic acid are called stearates. Stearic acid is one of the most common saturated fatty acids found in nature following palmitic acid. (WikiPedia) |
| Structure | |
| Molecular Formula | C18H35O2 |
| Average Mass | 283.46930 |
| Monoisotopic Mass | 283.26371 |
| IUPAC Name | octadecanoic acid |
| Traditional Name | Stearic acid |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1 |
| InChI Key | QIQXTHQIDYTFRH-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:25629 |
| MiMeDB ID | MMDBc0031668 |
| State | Expected Solid |
| Water Solubility | 6.61e-05 g/l |
| logP | 8.02 |
| logS | -6.63 |
| pKa (Strongest Acidic) | 4.95 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 16 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 86.29 m³·mol⁻¹ |
| Polarizability | 38.64 |