15-Tetracosenoic acid, methyl ester
PubChem CID: 5364424
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| Compound Synonyms | 15-Tetracosenoic acid, methyl ester, methyl (E)-tetracos-15-enoate, 56554-33-7, methyl 15-tetracosenoate, 15-tetracosenoic acid methyl ester, SCHEMBL624095, AINIZSBLAFHZCP-ZHACJKMWSA-N, Methyl (15E)-15-tetracosenoate, Methyl (15E)-15-tetracosenoate #, Q63391628 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-tetracos-15-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Molecular Formula | C25H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AINIZSBLAFHZCP-ZHACJKMWSA-N |
| Fcsp3 | 0.88 |
| Logs | -4.682 |
| Rotatable Bond Count | 22.0 |
| Logd | 3.19 |
| Compound Name | 15-Tetracosenoic acid, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 380.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.300073400000002 |
| Inchi | InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all