TMH
Summary
| Name: | (+)-alpha-Pinene |
| Synonyms: | (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-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,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
| OpenEye OEToolkits | 1.7.6 | (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=CCC2CC1C2(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | GRWFGVWFFZKLTI-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| SMILES | CACTVS | 3.385 | CC1=CC[CH]2C[CH]1C2(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CCC2CC1C2(C)C |
