3V4
Summary
| Name: | (+)-3-carene |
| Synonyms: | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
| Formula: | C10 H16 |
| Formal charge: | 0 |
| Formula weight: | 136.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
| OpenEye OEToolkits | 1.7.6 | (1S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=CCC2C(C1)C2(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | BQOFWKZOCNGFEC-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC[C@H]2[C@@H](C1)C2(C)C |
| SMILES | CACTVS | 3.385 | CC1=CC[CH]2[CH](C1)C2(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC[C@H]2[C@@H](C1)C2(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CCC2C(C1)C2(C)C |
