Glycol oleate
PubChem CID: 5364420
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| Compound Synonyms | 2-Hydroxyethyl oleate, Glycol oleate, 4500-01-0, Ethylene glycol monooleate, Glycol monooleate, 9004-96-0, 9-Octadecenoic acid (Z)-, 2-hydroxyethyl ester, 2-hydroxyethyl (Z)-octadec-9-enoate, Poly(ethylene glycol) monooleate, Oleic acid, 2-hydroxyethyl ester, 9Z5UXZ64XA, 9-Octadecenoic acid (9Z)-, 2-hydroxyethyl ester, AEC GLYCOL OLEATE, EINECS 224-806-9, 9-Octadecenoic acid, 2-hydroxyethyl ester, 2-Hydroxyethyl 9-octadecenoate, (Z)-9-OCTADECENOIC ACID-2-HYDROXYETHYL ESTER, Cithrol A, UNII-9Z5UXZ64XA, Cithrol A, Emcol EO 50, Ethylene Glycol Oleate, T 403B, (Z)-9-Octadecenoic Acid 2-Hydroxyethyl Ester, Monooleate Ethylene Glycol, ethyleneglycol monooleate, DSSTox_CID_7713, DSSTox_RID_78546, DSSTox_GSID_27713, SCHEMBL93861, GLYCOL OLEATE [INCI], CHEMBL3182752, DTXSID0063498, Tox21_303475, 2-hydroxyethyl (9Z)-octadec-9-enoate, 2-Hydroxyethyl (9Z)-9-octadecenoate #, NCGC00257333-01, CAS-9004-96-0, NS00013716, D08973, F71263, Q27273405, 224-806-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCC/C=CCCCCCCCC=O)OCCO |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyethyl (Z)-octadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O3 |
| Inchi Key | MUHFRORXWCGZGE-KTKRTIGZSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 18.0 |
| Synonyms | 9-octadecenoic acid (z)-,2-hydroxyethyl ester |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CO, COC(C)=O |
| Compound Name | Glycol oleate |
| Exact Mass | 326.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 326.5 |
| 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/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167