Vinyl stearate
PubChem CID: 66077
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| Compound Synonyms | Vinyl stearate, 111-63-7, Octadecanoic acid, ethenyl ester, ethenyl octadecanoate, Stearic acid, vinyl ester, Vinyl stearate (stabilized with MEHQ), VinylStearate(stabilizedwithMEHQ), UNII-F6L6TFV7BX, F6L6TFV7BX, vinyl octadecanoate, NSC-5641, EINECS 203-890-0, NSC 20891, NSC-20891, Vinylstearate, AI3-23120, DTXSID20861736, Stearic Acid Vinyl Ester, MFCD00026667, Vinyl stearate,min. 95%, SCHEMBL20476, DTXCID60810622, NSC5641, Stearic acid, vinyl ester (8CI), AAA11163, NSC20891, AKOS015916173, FS-4089, HY-W106426, Vinyl stearate, inhibitor MEHQ (20ppm), DB-040994, CS-0167847, NS00041239, S0241, D95414, Q27277716, Vinyl stearate, contains 20 ppm MEHQ as inhibitor, 95%, 203-890-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)OC=C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethenyl octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O2 |
| Inchi Key | AFSIMBWBBOJPJG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 18.0 |
| Synonyms | vinyl stearate |
| Esol Class | Poorly soluble |
| Functional Groups | C=COC(C)=O |
| Compound Name | Vinyl stearate |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| 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/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1098/rsos.190211