Methyl cis-icos-11-enoate
PubChem CID: 5319603
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| Compound Synonyms | 69119-90-0, 11-Eicosenoic acid, methyl ester, METHYL TRANS-11-EICOSENOATE, methyl (E)-icos-11-enoate, Methyl cis-icos-11-enoate, EINECS 219-226-8, 2390-09-2, (Z)-Methyl icos-11-enoate, 11-eicosenoic acid methyl ester, 3946-08-5, Methyl (11E)-11-icosenoate, SCHEMBL2189519, Methyl (11E)-11-eicosenoate, RBKMRGOHCLRTLZ-ZHACJKMWSA-N, DTXSID701346307, Methyl (11E)-11-icosenoate #, trans-11-Eicosenoic acid methyl ester, Q63399176, 219-226-8 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-icos-11-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.7 |
| Molecular Formula | C21H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBKMRGOHCLRTLZ-ZHACJKMWSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -5.291 |
| Rotatable Bond Count | 18.0 |
| Logd | 5.889 |
| Compound Name | Methyl cis-icos-11-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 324.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.8554037999999995 |
| Inchi | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCCCC(=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients