Oxalic acid, 2-ethylhexyl octadecyl ester
PubChem CID: 6420794
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| Compound Synonyms | Oxalic acid, 2-ethylhexyl octadecyl ester, PXAMEFFJUGKGPC-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-O-(2-ethylhexyl) 1-O-octadecyl oxalate |
| Prediction Hob | 0.0 |
| Xlogp | 12.4 |
| Molecular Formula | C28H54O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXAMEFFJUGKGPC-UHFFFAOYSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -3.478 |
| Rotatable Bond Count | 26.0 |
| Logd | 2.772 |
| Compound Name | Oxalic acid, 2-ethylhexyl octadecyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.402 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 454.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.7301632 |
| Inchi | InChI=1S/C28H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31-27(29)28(30)32-25-26(6-3)23-8-5-2/h26H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OCC(CC)CCCC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients