5,9-Hexacosadienoic acid, methyl ester
PubChem CID: 556972
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| Compound Synonyms | 5,9-Hexacosadienoic acid, methyl ester, 89188-20-5, DTXSID50339559, DTXCID40290640, 5,9-hexacosadienoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl hexacosa-5,9-dienoate |
| Prediction Hob | 0.0 |
| Xlogp | 11.0 |
| Molecular Formula | C27H50O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUDNOVFCFRUERQ-UHFFFAOYSA-N |
| Fcsp3 | 0.8148148148148148 |
| Logs | -7.263 |
| Rotatable Bond Count | 23.0 |
| Logd | 5.052 |
| Compound Name | 5,9-Hexacosadienoic acid, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 406.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.767209000000002 |
| Inchi | InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCC=CCCC=CCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Hispidum (Plant) Rel Props:Source_db:cmaup_ingredients