methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]dodec-2-enoate
PubChem CID: 11414911
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 63.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]dodec-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C16H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJTAGLUUEBGSBO-OKFGHLOFSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.8 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.902 |
| Compound Name | methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]dodec-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4824552000000004 |
| Inchi | InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-14(16(19)20-3)15(18)13(2)17/h12,15,18H,4-11H2,1-3H3/b14-12+/t15-/m1/s1 |
| Smiles | CCCCCCCCC/C=C(\[C@@H](C(=O)C)O)/C(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Source_db:cmaup_ingredients