9IU
Summary
| Name: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
| Synonyms: | S-(-)-limonene |
| Formula: | C10 H16 |
| Formal charge: | 0 |
| Formula weight: | 136.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-1-methyl-4-prop-1-en-2-yl-cyclohexene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=CCC(CC1)C(C)=C |
| InChI | InChI | 1.03 | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | XMGQYMWWDOXHJM-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@H]1CCC(=CC1)C |
| SMILES | CACTVS | 3.385 | CC(=C)[CH]1CCC(=CC1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC[C@H](CC1)C(=C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(CC1)C(=C)C |
