(Z)-Methyl hexadec-11-enoate
PubChem CID: 11277200
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| Compound Synonyms | methyl (z)-11-hexadecenoate, methyl (Z)-hexadec-11-enoate, 822-05-9, (Z)-Methyl hexadec-11-enoate, starbld0037353, XBLFUMKMXKPZCT-SREVYHEPSA-N, 11-Hexadecenoic acid, methyl ester, (Z)-, 11-Hexadecenoic acid, methyl ester, (11Z)-, 829-981-0 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-hexadec-11-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C17H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XBLFUMKMXKPZCT-SREVYHEPSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -1.529 |
| Rotatable Bond Count | 14.0 |
| Logd | 0.835 |
| Compound Name | (Z)-Methyl hexadec-11-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.593434199999998 |
| Inchi | InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-7H,3-5,8-16H2,1-2H3/b7-6- |
| Smiles | CCCC/C=C\CCCCCCCCCC(=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients