Methyl 4,8-decadienoate
PubChem CID: 6428540
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| Compound Synonyms | Methyl 4,8-decadienoate, methyl (4E,8E)-deca-4,8-dienoate, SCHEMBL3084656, SCHEMBL21594794, CHEBI:192218, ZYNYTTXGMNCKDP-DYWGDJMRSA-N, 4,8-Decadienoic acid,methyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (4E,8E)-deca-4,8-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZYNYTTXGMNCKDP-DYWGDJMRSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -3.504 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.99 |
| Compound Name | Methyl 4,8-decadienoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.1586306 |
| Inchi | InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3+,8-7+ |
| Smiles | C/C=C/CC/C=C/CCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients