0WU
Summary
| Name: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one |
| Synonyms: | S-carvone |
| Formula: | C10 H14 O |
| Formal charge: | 0 |
| Formula weight: | 150.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one |
| OpenEye OEToolkits | 1.7.6 | (5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=CCC(C(=C)\C)C1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ULDHMXUKGWMISQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=C)[C@H]1CC=C(C)C(=O)C1 |
| SMILES | CACTVS | 3.370 | CC(=C)[CH]1CC=C(C)C(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC[C@@H](CC1=O)C(=C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CCC(CC1=O)C(=C)C |
