Ethyl 15-methyl-hexadecanoate
PubChem CID: 5317250
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| Compound Synonyms | Ethyl 15-methyl-hexadecanoate, SCHEMBL4087075, XIGHSXXUOBTIJH-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 15-methylhexadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C19H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XIGHSXXUOBTIJH-UHFFFAOYSA-N |
| Fcsp3 | 0.9473684210526316 |
| Logs | -6.853 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.736 |
| Compound Name | Ethyl 15-methyl-hexadecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.756668199999999 |
| Inchi | InChI=1S/C19H38O2/c1-4-21-19(20)17-15-13-11-9-7-5-6-8-10-12-14-16-18(2)3/h18H,4-17H2,1-3H3 |
| Smiles | CCOC(=O)CCCCCCCCCCCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients