3Z,6Z,9Z-Heneicosatriene
PubChem CID: 13116578
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| Compound Synonyms | 3Z,6Z,9Z-Heneicosatriene, CHEBI:179103, (z,z,z)-3,6,9-heneicosatriene, LMFA11000164, (3Z,6Z,9Z)-henicosa-3,6,9-triene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,6Z,9Z)-henicosa-3,6,9-triene |
| Prediction Hob | 0.0 |
| Xlogp | 9.3 |
| Molecular Formula | C21H38 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTTJXXJFKCTVBZ-JTBMWNAQSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -5.503 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.52 |
| Compound Name | 3Z,6Z,9Z-Heneicosatriene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 290.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -6.497717 |
| Inchi | InChI=1S/C21H38/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-21H2,1-2H3/b7-5-,13-11-,19-17- |
| Smiles | CCCCCCCCCCC/C=C\C/C=C\C/C=C\CC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Argemone Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients