Oxalic acid, 2-ethylhexyl tetradecyl ester
PubChem CID: 6420793
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| Compound Synonyms | Oxalic acid, 2-ethylhexyl tetradecyl ester, SCHEMBL12543376, OFUPYZIDSXDVJY-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCOC=O)C=O)OCCCCCC))))CC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-O-(2-ethylhexyl) 1-O-tetradecyl oxalate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H46O4 |
| Inchi Key | OFUPYZIDSXDVJY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | oxalic acid, 2-ethylhexyl tetradecyl ester |
| Esol Class | Poorly soluble |
| Functional Groups | COC(=O)C(=O)OC |
| Compound Name | Oxalic acid, 2-ethylhexyl tetradecyl ester |
| Exact Mass | 398.34 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.34 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 398.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H46O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-27-23(25)24(26)28-21-22(6-3)19-8-5-2/h22H,4-21H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCOC(=O)C(=O)OCC(CC)CCCC |
| 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 Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167