(2E)-Dodec-2-en-1-yl methyl ether
PubChem CID: 88030105
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| Compound Synonyms | SCHEMBL6696768, VHDLPJILDRILOW-VAWYXSNFSA-N, (2E)-Dodec-2-en-1-yl methyl ether |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCC/C=C/COC |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-methoxydodec-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 5.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H26O |
| Inchi Key | VHDLPJILDRILOW-VAWYXSNFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2-dodec-2-en-1-yl methyl ether |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, COC |
| Compound Name | (2E)-Dodec-2-en-1-yl methyl ether |
| Exact Mass | 198.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 198.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h11-12H,3-10,13H2,1-2H3/b12-11+ |
| Smiles | CCCCCCCCC/C=C/COC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014