Ethyl isostearate
PubChem CID: 5317251
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| Compound Synonyms | Ethyl isostearate, Kak-eis, Eis-v, 158760-40-8, RB-K, Ethyl isostearate [INCI], Isooctadecanoic acid, ethyl ester, ethyl 16-methylheptadecanoate, UNII-31LS8R672V, 31LS8R672V, EIS, DTXSID701021703, Q27256062 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 16-methylheptadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Molecular Formula | C20H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMMXZLMYEUEJFT-UHFFFAOYSA-N |
| Fcsp3 | 0.95 |
| Logs | -6.933 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.784 |
| Compound Name | Ethyl isostearate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1178356 |
| Inchi | InChI=1S/C20H40O2/c1-4-22-20(21)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)3/h19H,4-18H2,1-3H3 |
| Smiles | CCOC(=O)CCCCCCCCCCCCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients