Methyl 2-undecenoate
PubChem CID: 6429220
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| Compound Synonyms | methyl 2-undecenoate, methyl (2E)-2-undecenoate, SCHEMBL11743976, FDNCPIRKQFHDBX-ZHACJKMWSA-N, (E)-undec-2-enoic acid methyl ester, AKOS006293742 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (E)-undec-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FDNCPIRKQFHDBX-ZHACJKMWSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.159 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.757 |
| Compound Name | Methyl 2-undecenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3860972 |
| Inchi | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h10-11H,3-9H2,1-2H3/b11-10+ |
| Smiles | CCCCCCCC/C=C/C(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients