(4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
PubChem CID: 6440238
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| Compound Synonyms | 23224-49-9, (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid, 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl- |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| 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 | (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOKDWPMRYSKGTB-CYRKZOTCSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -4.067 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.662 |
| Compound Name | (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid |
| 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 | -4.287335799999999 |
| Inchi | InChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10-,16-12- |
| Smiles | CC(=CCC/C(=C\CC/C(=C\CCC(=O)O)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients