Methyl 9-dodecenoate
PubChem CID: 534675
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| Compound Synonyms | methyl 9-dodecenoate, DTXSID90884816, 9-DDAME, 9-dodecenoic acid methyl ester, DB-325691, NS00001275, 56219-05-7 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl dodec-9-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C13H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DUWQEMMRMJGHSA-UHFFFAOYSA-N |
| Fcsp3 | 0.7692307692307693 |
| Logs | -4.498 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.935 |
| Compound Name | Methyl 9-dodecenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2747645999999997 |
| Inchi | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3 |
| Smiles | CCC=CCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients