Methyl 10,11-tetradecadienoate
PubChem CID: 91694384
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| Compound Synonyms | Methyl 10,11-tetradecadienoate, methyl tetradeca-10,11-dienoate, WUTSRWOBMGPOSQ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WUTSRWOBMGPOSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.751 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.204 |
| Compound Name | Methyl 10,11-tetradecadienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8427001999999995 |
| Inchi | InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4,6H,3,7-14H2,1-2H3 |
| Smiles | CCC=C=CCCCCCCCCC(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients