1NB
Summary
| Name: | 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL |
| Synonyms: | GR143783 |
| Formula: | C10 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(C/C=C)C1CCCC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1CCC[C@@H]1[C@@H](CC=C)C=O |
| SMILES | CACTVS | 3.341 | O[CH]1CCC[CH]1[CH](CC=C)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCC(C=O)C1CCCC1O |
| InChI | InChI | 1.03 | InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | NEWBFDLFXDTFGD-AEJSXWLSSA-N |
