28U
Summary
| Name: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Synonyms: | trans-Nerolidol |
| Formula: | C15 H26 O |
| Formal charge: | 0 |
| Formula weight: | 222.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| OpenEye OEToolkits | 1.7.6 | (3R)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(/C=C)(CC/C=C(/CC/C=C(\C)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | FQTLCLSUCSAZDY-GOFCXVBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CC[C@@](C)(O)C=C |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCC[C](C)(O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=CCC[C@](C)(C=C)O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=CCCC(C)(C=C)O)C)C |
