Showing Metabocard for dodecanoate (BASm0001225)
| Common Name | Dodecanoate |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C12H23O2 |
| Average Mass | 199.30980 |
| Monoisotopic Mass | 199.16981 |
| IUPAC Name | dodecanoic acid |
| Traditional Name | Lauric acid |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCCCCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 |
| InChI Key | POULHZVOKOAJMA-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:18262 |
| MiMeDB ID | MMDBc0030314 |
| State | Expected Solid |
| Water Solubility | 9.97e-03 g/l |
| logP | 5.13 |
| logS | -4.30 |
| 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 | 10 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 58.68 m³·mol⁻¹ |
| Polarizability | 25.83 |