56S
Summary
| Name: | propan-2-yl dodecanoate |
| Synonyms: | Isopropyl laurate |
| Formula: | C15 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propan-2-yl dodecanoate |
| OpenEye OEToolkits | 1.9.2 | propan-2-yl dodecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC(OC(C)C)=O)CCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | InChI | 1.03 | UJPPXNXOEVDSRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCC(=O)OC(C)C |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCC(=O)OC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCC(=O)OC(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCC(=O)OC(C)C |
