2E,4E-Octadienyl acetate
PubChem CID: 5363495
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| Compound Synonyms | 2E,4E-Octadienyl acetate, [(2E,4E)-octa-2,4-dienyl] acetate, SCHEMBL1301525, SCHEMBL1301526, (e,e)-2,4-octadienyl acetate, CHEBI:192125, YAXSGIATFVJGNN-BSWSSELBSA-N, LMFA07010191, trans, trans-Octa-2,4-dienyl acetate, (2E,4E)-2,4-Octadienyl acetate # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E,4E)-octa-2,4-dienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YAXSGIATFVJGNN-BSWSSELBSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.907 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.273 |
| Compound Name | 2E,4E-Octadienyl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.1313632 |
| Inchi | InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h5-8H,3-4,9H2,1-2H3/b6-5+,8-7+ |
| Smiles | CCC/C=C/C=C/COC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients