Methyl icosa-5,8,11-trienoate
PubChem CID: 549000
Connections displayed (default: 10).
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| Compound Synonyms | methyl icosa-5,8,11-trienoate, DTXSID40932750, PD049917, (5Z,8Z,11Z)-Methyl icosa-5,8,11-trienoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl icosa-5,8,11-trienoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C21H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AESHPAQQBZWZMS-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.61 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.936 |
| Compound Name | Methyl icosa-5,8,11-trienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.804905400000001 |
| Inchi | InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3 |
| Smiles | CCCCCCCCC=CCC=CCC=CCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients