(2E,6Z)-farnesol acetate
PubChem CID: 1551481
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| Compound Synonyms | (2E,6Z)-Farnesyl Acetate, (2E,6Z)-farnesol acetate, M3CY8SFI62, Farnesyl acetate, (2E,6Z)-, trans-2-cis-6-farnesyl acetate, UNII-M3CY8SFI62, FEMA No. 4213, (2E,6Z)-, 24163-98-2, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,Z)-, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-acetate, (2E,6Z)-, (E,Z)-farnesyl acetate, SCHEMBL806725, AS-87069, Q27283432 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZGIGZINMAOQWLX-RWIOWDNPSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -4.576 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.253 |
| Compound Name | (2E,6Z)-farnesol acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.6023358 |
| Inchi | InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10-,16-12+ |
| Smiles | CC(=CCC/C(=C\CC/C(=C/COC(=O)C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients