2,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)-
PubChem CID: 5319306
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate, 928-36-9, 2,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)-, (2Z,8Z)-MATRICARIA ACID METHYL ESTER, (Z,Z)-Matricaria ester, CHEMBL2229362, SCHEMBL13751306, GXPDZHWFJLUFGY-RTAKVZRXSA-N, Methyl(2Z,8Z)-decadien-4,6-diynoate, Methyl (2Z,8Z)deca-2,8-dien-4,6-diynoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C11H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXPDZHWFJLUFGY-RTAKVZRXSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.881 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.661 |
| Compound Name | 2,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.3315337999999994 |
| Inchi | InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3-,10-9- |
| Smiles | C/C=C\C#CC#C/C=C\C(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Conyza Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ruta Tuberculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Solidago Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Solidago Virgaurea (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Thymbra Capitata (Plant) Rel Props:Source_db:npass_chem_all