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 |