cis-3,6,9,12,15-Heneicosapentaene
PubChem CID: 91750519
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| Compound Synonyms | WVVMNHZOUMNOLT-LOYOHVQTSA-N, cis-3,6,9,12,15-heneicosapentaene, (z,z,z,z,z)-3,6,9,12,15-heneicosapentaene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,6Z,9Z,12Z,15Z)-henicosa-3,6,9,12,15-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 7.9 |
| Molecular Formula | C21H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVVMNHZOUMNOLT-LOYOHVQTSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -2.26 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.726 |
| Compound Name | cis-3,6,9,12,15-Heneicosapentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 286.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -5.741618599999999 |
| Inchi | InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20H,3-4,6,8-10,15-16,21H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18- |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 5.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients