XGE
Summary
| Name: | alpha-TERPINEOL |
| Synonyms: | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Formula: | C10 H18 O |
| Formal charge: | 0 |
| Formula weight: | 154.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[(1~{S})-4-methylcyclohex-3-en-1-yl]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=CCC(CC1)C(O)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | WUOACPNHFRMFPN-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC[C@H](CC1)C(C)(C)O |
| SMILES | CACTVS | 3.385 | CC1=CC[CH](CC1)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC[C@H](CC1)C(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(CC1)C(C)(C)O |
