XP3
Summary
| Name: | (5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one |
| Formula: | C16 H26 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-13-10-14(18)11-16(19)15(13)12-17/h6-7,14,17-18H,2-5,8-12H2,1H3 |
| InChIKey | InChI | 1.06 | UIYPBPASYFNZQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC/C=C/CCC1=C(CO)C(=O)C[C@H](O)C1 |
| SMILES | CACTVS | 3.385 | CCCCCC=CCCC1=C(CO)C(=O)C[CH](O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C/CCC1=C(C(=O)C[C@@H](C1)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CCCC1=C(C(=O)CC(C1)O)CO |
