Octadecyl vinyl ether
PubChem CID: 13585
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| Compound Synonyms | Octadecyl vinyl ether, Vinyl octadecyl ether, 930-02-9, Octadecane, 1-(ethenyloxy)-, Stearyl vinyl ether, Ether, octadecyl vinyl, 1-(Vinyloxy)octadecane, Vinyl stearyl ether, 1-ethenoxyoctadecane, n-octadecylvinylether, 1-(ETHENYLOXY)OCTADECANE, EINECS 213-208-3, NSC 111998, BRN 1709820, UNII-15102HDV20, 1-(Ethenyloxy)-octadecane, 15102HDV20, NSC-111998, 1-(VINYLOXO)OCTADECANE, DTXSID2061305, EC 213-208-3, Vinyloctadecyl ether, MFCD00026686, stearylvinyl ether, 1(Vinyloxy)octadecane, n-octadecyl vinyl ether, 1(Ethenyloxy)octadecane, 1-(Octadecyloxy)ethylene #, SCHEMBL36065, DTXCID5048847, NSC111998, AKOS015836297, BS-42321, DB-057355, CS-0077150, NS00001677, O0019, E75902, Q27251664, 213-208-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCOC=C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenoxyoctadecane |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 9.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O |
| Inchi Key | QJJDJWUCRAPCOL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 18.0 |
| Synonyms | octadecane,1-(ethenyloxy)- |
| Esol Class | Poorly soluble |
| Functional Groups | C=COC |
| Compound Name | Octadecyl vinyl ether |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644128