1-Acetoxyoctadiene
PubChem CID: 5363376
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| Compound Synonyms | 2E,7-Octadienyl acetate, [(2E)-octa-2,7-dienyl] acetate, 1-Acetoxyoctadiene, 2,7-Octadienyl acetate, 2,7-OCTADIEN-1-OL, ACETATE, Acetic acid, 1-octa-2,7-dienyl ester, 2,7-Octadien-1-ol, acetate, (E)-, (e)-2,7-octadienyl acetate, SCHEMBL991224, (2E)-2,7-Octadienyl acetate, RDOHPVPONNHSPH-BQYQJAHWSA-, CHEBI:195796, RDOHPVPONNHSPH-BQYQJAHWSA-N, (E)-2,7-Octadien-1-yl acetate, LMFA07010187, InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+ |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E)-octa-2,7-dienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDOHPVPONNHSPH-BQYQJAHWSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.794 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.521 |
| Compound Name | 1-Acetoxyoctadiene |
| 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 | 1.0 |
| Esol | -2.0149631999999995 |
| Inchi | InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+ |
| Smiles | CC(=O)OC/C=C/CCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients