Showing Metabocard for 2-methylbutyl hexanoate (BASm0011208)
| Common Name | 2-methylbutyl hexanoate |
|---|---|
| Description | 2-Methylbutyl hexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid. |
| Structure | |
| Molecular Formula | C11H22O2 |
| Average Mass | 186.29120 |
| Monoisotopic Mass | 186.16198 |
| IUPAC Name | 2-methylbutyl hexanoate |
| Traditional Name | 2-methylbutyl hexanoate |
| CAS Registry Number | Not Available |
| SMILES | CCCCCC(=O)OCC(C)CC |
| InChI Identifier | InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3 |
| InChI Key | ZWMQVDONBUJJLL-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:156542 |
| HMDB ID | HMDB0059860 |
| State | Not Available |
| Water Solubility | 6.27e-02 g/l |
| logP | 4.27 |
| logS | -3.47 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.03 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 8 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 54.19 m³·mol⁻¹ |
| Polarizability | 23.15 |