LEG
Summary
| Name: | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE |
| Formula: | C15 H20 O |
| Formal charge: | 0 |
| Formula weight: | 216.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(4-hexylphenyl)prop-2-en-1-one |
| OpenEye OEToolkits | 1.5.0 | 1-(4-hexylphenyl)prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc(cc1)CCCCCC)\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCc1ccc(cc1)C(=O)C=C |
| SMILES | CACTVS | 3.341 | CCCCCCc1ccc(cc1)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCc1ccc(cc1)C(=O)C=C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCc1ccc(cc1)C(=O)C=C |
| InChI | InChI | 1.03 | InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3 |
| InChIKey | InChI | 1.03 | IINHTEWASPUCMH-UHFFFAOYSA-N |
