methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate
PubChem CID: 6443002
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| Compound Synonyms | 23180-59-8, methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate, (E,Z)-Matricaria ester, 2,8-Decadiene-4,6-diynoic acid, methyl ester, (E,Z)-, SCHEMBL16685620, GXPDZHWFJLUFGY-PWGWRZEZSA-N, DTXSID101314374, Methyl(2E,8Z)-decadien-4,6-diynoate, Methyl (8Z,2E)deca-2,8-dien-4,6-diynoate, (2E,8Z)-2,8-Decadiene-4,6-diynoic 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 | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (2E,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-PWGWRZEZSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -4.331 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.526 |
| Compound Name | methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate |
| 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 | 6.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solidago Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients